N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

C400H319N13 — CID 158202328

IUPACN,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2ccccc2C4(C)C)cc1.CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc4c(c2)C2C=CC=CC2N4c2ccccc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc4ccccc4c2)c2ccc4ccccc4c2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc4c(c2)C2C=CC=CC2N4c2ccccc2)c2ccccc12)C3(C)C.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(c2ccccc2)c2ccccc2)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C76H58N4.C64H51N3.C60H41N.C52H42N2.C52H41N.C48H37N.C48H49N/c1-75(2)65-45-55(77(49-23-9-5-10-24-49)53-38-41-71-62(43-53)58-32-19-21-35-69(58)79(71)51-27-13-7-14-28-51)37-40-56(65)61-46-67-64(47-66(61)75)74-60-34-18-17-31-57(60)73(48-68(74)76(67,3)4)78(50-25-11-6-12-26-50)54-39-42-72-63(44-54)59-33-20-22-36-70(59)80(72)52-29-15-8-16-30-52;1-63(2)57-32-20-19-29-52(57)55-41-59-56(42-58(55)63)62-54-31-18-17-30-53(54)61(43-60(62)64(59,3)4)67(50-37-33-48(34-38-50)65(44-21-9-5-10-22-44)45-23-11-6-12-24-45)51-39-35-49(36-40-51)66(46-25-13-7-14-26-46)47-27-15-8-16-28-47;1-7-23-42(24-8-1)59(43-25-9-2-10-26-43)53-38-22-21-35-48(53)51-39-55-52(40-54(51)59)58-50-37-20-19-36-49(50)57(61(46-31-15-5-16-32-46)47-33-17-6-18-34-47)41-56(58)60(55,44-27-11-3-12-28-44)45-29-13-4-14-30-45;1-51(2)43-25-15-13-21-36(43)40-30-45-42(31-44(40)51)50-39-24-12-11-22-37(39)49(32-46(50)52(45,3)4)53(33-17-7-5-8-18-33)35-27-28-48-41(29-35)38-23-14-16-26-47(38)54(48)34-19-9-6-10-20-34;1-51(2)45-22-14-13-19-40(45)43-31-47-44(32-46(43)51)50-42-21-12-11-20-41(42)49(33-48(50)52(47,3)4)53(38-27-23-36(24-28-38)34-15-7-5-8-16-34)39-29-25-37(26-30-39)35-17-9-6-10-18-35;1-47(2)41-20-12-11-17-36(41)39-27-43-40(28-42(39)47)46-38-19-10-9-18-37(38)45(29-44(46)48(43,3)4)49(34-23-21-30-13-5-7-15-32(30)25-34)35-24-22-31-14-6-8-16-33(31)26-35;1-45(2,3)30-19-23-32(24-20-30)49(33-25-21-31(22-26-33)46(4,5)6)43-29-42-44(36-17-12-11-16-35(36)43)38-28-40-37(27-41(38)48(42,9)10)34-15-13-14-18-39(34)47(40,7)8/h5-48,59,70H,1-4H3;5-43H,1-4H3;1-41H;5-32,38,47H,1-4H3;5-33H,1-4H3;5-29H,1-4H3;11-29H,1-10H3
InChIKeyGBBYISOTTGGVOF-UHFFFAOYSA-N
MW5308.04 g/mol
LogP107.77
Rot. Bonds39

About N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (PubChem CID 158202328) has the molecular formula C400H319N13 and a molecular weight of 5308.04 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
PubChem CID158202328
Molecular FormulaC400H319N13
Molecular Weight5308.04 g/mol
Exact Mass5303.54
IUPAC NameN,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2ccccc2C4(C)C)cc1.CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc4c(c2)C2C=CC=CC2N4c2ccccc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc4ccccc4c2)c2ccc4ccccc4c2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc4c(c2)C2C=CC=CC2N4c2ccccc2)c2ccccc12)C3(C)C.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(c2ccccc2)c2ccccc2)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C76H58N4.C64H51N3.C60H41N.C52H42N2.C52H41N.C48H37N.C48H49N/c1-75(2)65-45-55(77(49-23-9-5-10-24-49)53-38-41-71-62(43-53)58-32-19-21-35-69(58)79(71)51-27-13-7-14-28-51)37-40-56(65)61-46-67-64(47-66(61)75)74-60-34-18-17-31-57(60)73(48-68(74)76(67,3)4)78(50-25-11-6-12-26-50)54-39-42-72-63(44-54)59-33-20-22-36-70(59)80(72)52-29-15-8-16-30-52;1-63(2)57-32-20-19-29-52(57)55-41-59-56(42-58(55)63)62-54-31-18-17-30-53(54)61(43-60(62)64(59,3)4)67(50-37-33-48(34-38-50)65(44-21-9-5-10-22-44)45-23-11-6-12-24-45)51-39-35-49(36-40-51)66(46-25-13-7-14-26-46)47-27-15-8-16-28-47;1-7-23-42(24-8-1)59(43-25-9-2-10-26-43)53-38-22-21-35-48(53)51-39-55-52(40-54(51)59)58-50-37-20-19-36-49(50)57(61(46-31-15-5-16-32-46)47-33-17-6-18-34-47)41-56(58)60(55,44-27-11-3-12-28-44)45-29-13-4-14-30-45;1-51(2)43-25-15-13-21-36(43)40-30-45-42(31-44(40)51)50-39-24-12-11-22-37(39)49(32-46(50)52(45,3)4)53(33-17-7-5-8-18-33)35-27-28-48-41(29-35)38-23-14-16-26-47(38)54(48)34-19-9-6-10-20-34;1-51(2)45-22-14-13-19-40(45)43-31-47-44(32-46(43)51)50-42-21-12-11-20-41(42)49(33-48(50)52(47,3)4)53(38-27-23-36(24-28-38)34-15-7-5-8-16-34)39-29-25-37(26-30-39)35-17-9-6-10-18-35;1-47(2)41-20-12-11-17-36(41)39-27-43-40(28-42(39)47)46-38-19-10-9-18-37(38)45(29-44(46)48(43,3)4)49(34-23-21-30-13-5-7-15-32(30)25-34)35-24-22-31-14-6-8-16-33(31)26-35;1-45(2,3)30-19-23-32(24-20-30)49(33-25-21-31(22-26-33)46(4,5)6)43-29-42-44(36-17-12-11-16-35(36)43)38-28-40-37(27-41(38)48(42,9)10)34-15-13-14-18-39(34)47(40,7)8/h5-48,59,70H,1-4H3;5-43H,1-4H3;1-41H;5-32,38,47H,1-4H3;5-33H,1-4H3;5-29H,1-4H3;11-29H,1-10H3
InChIKeyGBBYISOTTGGVOF-UHFFFAOYSA-N
XLogP107.77
TPSA43.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds39
Heavy Atoms413
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005308.04
LogP ≤ 5107.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (CID 158202328) is N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2ccccc2C4(C)C)cc1.CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc4c(c2)C2C=CC=CC2N4c2ccccc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccc4ccccc4c2)c2ccc4ccccc4c2)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccc4c(c2)C2C=CC=CC2N4c2ccccc2)c2ccccc12)C3(C)C.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(c2ccccc2)c2ccccc2)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The InChIKey is GBBYISOTTGGVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H58N4.C64H51N3.C60H41N.C52H42N2.C52H41N.C48H37N.C48H49N/c1-75(2)65-45-55(77(49-23-9-5-10-24-49)53-38-41-71-62(43-53)58-32-19-21-35-69(58)79(71)51-27-13-7-14-28-51)37-40-56(65)61-46-67-64(47-66(61)75)74-60-34-18-17-31-57(60)73(48-68(74)76(67,3)4)78(50-25-11-6-12-26-50)54-39-42-72-63(44-54)59-33-20-22-36-70(59)80(72)52-29-15-8-16-30-52;1-63(2)57-32-20-19-29-52(57)55-41-59-56(42-58(55)63)62-54-31-18-17-30-53(54)61(43-60(62)64(59,3)4)67(50-37-33-48(34-38-50)65(44-21-9-5-10-22-44)45-23-11-6-12-24-45)51-39-35-49(36-40-51)66(46-25-13-7-14-26-46)47-27-15-8-16-28-47;1-7-23-42(24-8-1)59(43-25-9-2-10-26-43)53-38-22-21-35-48(53)51-39-55-52(40-54(51)59)58-50-37-20-19-36-49(50)57(61(46-31-15-5-16-32-46)47-33-17-6-18-34-47)41-56(58)60(55,44-27-11-3-12-28-44)45-29-13-4-14-30-45;1-51(2)43-25-15-13-21-36(43)40-30-45-42(31-44(40)51)50-39-24-12-11-22-37(39)49(32-46(50)52(45,3)4)53(33-17-7-5-8-18-33)35-27-28-48-41(29-35)38-23-14-16-26-47(38)54(48)34-19-9-6-10-20-34;1-51(2)45-22-14-13-19-40(45)43-31-47-44(32-46(43)51)50-42-21-12-11-20-41(42)49(33-48(50)52(47,3)4)53(38-27-23-36(24-28-38)34-15-7-5-8-16-34)39-29-25-37(26-30-39)35-17-9-6-10-18-35;1-47(2)41-20-12-11-17-36(41)39-27-43-40(28-42(39)47)46-38-19-10-9-18-37(38)45(29-44(46)48(43,3)4)49(34-23-21-30-13-5-7-15-32(30)25-34)35-24-22-31-14-6-8-16-33(31)26-35;1-45(2,3)30-19-23-32(24-20-30)49(33-25-21-31(22-26-33)46(4,5)6)43-29-42-44(36-17-12-11-16-35(36)43)38-28-40-37(27-41(38)48(42,9)10)34-15-13-14-18-39(34)47(40,7)8/h5-48,59,70H,1-4H3;5-43H,1-4H3;1-41H;5-32,38,47H,1-4H3;5-33H,1-4H3;5-29H,1-4H3;11-29H,1-10H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine has a molecular weight of 5308.04 g/mol, XLogP of 107.77, 39 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)benzene-1,4-diamine;N,9-diphenyl-N-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-4b,8a-dihydrocarbazol-3-amine;N,N,12,12,22,22-hexakis-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;12,12,22,22-tetramethyl-9-N,19-N-diphenyl-9-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-19-N-(9-phenylcarbazol-3-yl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is sourced from PubChem (CID 158202328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).