N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine

C408H318N6O6 — CID 159406658

IUPACN,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2cc4c(c5ccccc25)-c2cc5c(cc2C4(C)C)-c2ccccc2C5(C)C)c2cccc4c2oc2ccccc24)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc2ccc(N(c4ccc5cc6c(cc5c4)C(C)(C)c4cc5c(cc4-6)C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)cc2cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccc4c5c(cccc25)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccccc2-5)c2cccc4c2oc2ccccc24)c2cccc(c12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc2cc(N(c4ccc5c6c(ccc5c4)-c4cc5c(cc4C6(C)C)-c4ccccc4C5(C)C)c4cccc5c4oc4ccccc45)ccc2c1C3(C)C.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2cc4c(c5ccccc25)-c2ccc5c(c2C4(C)C)C(C)(C)c2ccccc2-5)c2cccc4c2oc2ccccc24)c2ccccc2c1-3.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cccc2c(N(c4ccc5c6c(cccc46)C(C)(C)c4c-5ccc5c4C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)ccc-3c12
InChIInChI=1S/6C68H53NO/c1-65(2)50-24-12-9-18-38(50)46-34-56-48(36-54(46)65)41-30-32-58(44-22-15-26-52(62(41)44)67(56,5)6)69(60-28-17-21-43-40-20-11-14-29-61(40)70-64(43)60)59-33-31-42-49-37-55-47(39-19-10-13-25-51(39)66(55,3)4)35-57(49)68(7,8)53-27-16-23-45(59)63(42)53;1-65(2)50-24-12-9-18-38(50)43-30-32-45-41-34-36-54(48-22-15-26-52(58(41)48)67(5,6)62(45)60(43)65)69(56-28-17-21-47-40-20-11-14-29-57(40)70-64(47)56)55-37-35-42-46-33-31-44-39-19-10-13-25-51(39)66(3,4)61(44)63(46)68(7,8)53-27-16-23-49(55)59(42)53;1-65(2)54-20-12-9-16-44(54)50-34-58-52(36-56(50)65)47-28-24-38-32-40(26-30-42(38)62(47)67(58,5)6)69(60-22-15-19-49-46-18-11-14-23-61(46)70-64(49)60)41-27-31-43-39(33-41)25-29-48-53-37-57-51(35-59(53)68(7,8)63(43)48)45-17-10-13-21-55(45)66(57,3)4;1-65(2)54-20-12-9-16-44(54)50-34-60-52(36-58(50)65)48-30-38-24-26-42(28-40(38)32-56(48)67(60,5)6)69(62-22-15-19-47-46-18-11-14-23-63(46)70-64(47)62)43-27-25-39-31-49-53-37-59-51(45-17-10-13-21-55(45)66(59,3)4)35-61(53)68(7,8)57(49)33-41(39)29-43;1-65(2)50-28-16-13-20-38(50)46-32-54-48(34-52(46)65)62-43-25-11-9-22-40(43)59(36-56(62)67(54,5)6)69(58-30-19-27-45-42-24-15-18-31-61(42)70-64(45)58)60-37-57-63(44-26-12-10-23-41(44)60)49-35-53-47(33-55(49)68(57,7)8)39-21-14-17-29-51(39)66(53,3)4;1-65(2)50-28-16-13-20-38(50)45-32-34-48-58-43-25-11-9-22-40(43)55(36-52(58)67(5,6)62(48)60(45)65)69(54-30-19-27-47-42-24-15-18-31-57(42)70-64(47)54)56-37-53-59(44-26-12-10-23-41(44)56)49-35-33-46-39-21-14-17-29-51(39)66(3,4)61(46)63(49)68(53,7)8/h6*9-37H,1-8H3
InChIKeyLOAUBHUSRGPYOK-UHFFFAOYSA-N
MW5401.07 g/mol
LogP111.52
Rot. Bonds18

About N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine

N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine (PubChem CID 159406658) has the molecular formula C408H318N6O6 and a molecular weight of 5401.07 g/mol. Its IUPAC name is N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine
PubChem CID159406658
Molecular FormulaC408H318N6O6
Molecular Weight5401.07 g/mol
Exact Mass5396.48
IUPAC NameN,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2cc4c(c5ccccc25)-c2cc5c(cc2C4(C)C)-c2ccccc2C5(C)C)c2cccc4c2oc2ccccc24)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc2ccc(N(c4ccc5cc6c(cc5c4)C(C)(C)c4cc5c(cc4-6)C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)cc2cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccc4c5c(cccc25)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccccc2-5)c2cccc4c2oc2ccccc24)c2cccc(c12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc2cc(N(c4ccc5c6c(ccc5c4)-c4cc5c(cc4C6(C)C)-c4ccccc4C5(C)C)c4cccc5c4oc4ccccc45)ccc2c1C3(C)C.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2cc4c(c5ccccc25)-c2ccc5c(c2C4(C)C)C(C)(C)c2ccccc2-5)c2cccc4c2oc2ccccc24)c2ccccc2c1-3.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cccc2c(N(c4ccc5c6c(cccc46)C(C)(C)c4c-5ccc5c4C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)ccc-3c12
InChIInChI=1S/6C68H53NO/c1-65(2)50-24-12-9-18-38(50)46-34-56-48(36-54(46)65)41-30-32-58(44-22-15-26-52(62(41)44)67(56,5)6)69(60-28-17-21-43-40-20-11-14-29-61(40)70-64(43)60)59-33-31-42-49-37-55-47(39-19-10-13-25-51(39)66(55,3)4)35-57(49)68(7,8)53-27-16-23-45(59)63(42)53;1-65(2)50-24-12-9-18-38(50)43-30-32-45-41-34-36-54(48-22-15-26-52(58(41)48)67(5,6)62(45)60(43)65)69(56-28-17-21-47-40-20-11-14-29-57(40)70-64(47)56)55-37-35-42-46-33-31-44-39-19-10-13-25-51(39)66(3,4)61(44)63(46)68(7,8)53-27-16-23-49(55)59(42)53;1-65(2)54-20-12-9-16-44(54)50-34-58-52(36-56(50)65)47-28-24-38-32-40(26-30-42(38)62(47)67(58,5)6)69(60-22-15-19-49-46-18-11-14-23-61(46)70-64(49)60)41-27-31-43-39(33-41)25-29-48-53-37-57-51(35-59(53)68(7,8)63(43)48)45-17-10-13-21-55(45)66(57,3)4;1-65(2)54-20-12-9-16-44(54)50-34-60-52(36-58(50)65)48-30-38-24-26-42(28-40(38)32-56(48)67(60,5)6)69(62-22-15-19-47-46-18-11-14-23-63(46)70-64(47)62)43-27-25-39-31-49-53-37-59-51(45-17-10-13-21-55(45)66(59,3)4)35-61(53)68(7,8)57(49)33-41(39)29-43;1-65(2)50-28-16-13-20-38(50)46-32-54-48(34-52(46)65)62-43-25-11-9-22-40(43)59(36-56(62)67(54,5)6)69(58-30-19-27-45-42-24-15-18-31-61(42)70-64(45)58)60-37-57-63(44-26-12-10-23-41(44)60)49-35-53-47(33-55(49)68(57,7)8)39-21-14-17-29-51(39)66(53,3)4;1-65(2)50-28-16-13-20-38(50)45-32-34-48-58-43-25-11-9-22-40(43)55(36-52(58)67(5,6)62(48)60(45)65)69(54-30-19-27-47-42-24-15-18-31-57(42)70-64(47)54)56-37-53-59(44-26-12-10-23-41(44)56)49-35-33-46-39-21-14-17-29-51(39)66(3,4)61(46)63(49)68(53,7)8/h6*9-37H,1-8H3
InChIKeyLOAUBHUSRGPYOK-UHFFFAOYSA-N
XLogP111.52
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms420
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005401.07
LogP ≤ 5111.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine with MolForge

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What is the IUPAC name of N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine?
The IUPAC name of N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine (CID 159406658) is N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine?
The canonical SMILES for N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2cc4c(c5ccccc25)-c2cc5c(cc2C4(C)C)-c2ccccc2C5(C)C)c2cccc4c2oc2ccccc24)c2ccccc12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc2ccc(N(c4ccc5cc6c(cc5c4)C(C)(C)c4cc5c(cc4-6)C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)cc2cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccc4c5c(cccc25)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccccc2-5)c2cccc4c2oc2ccccc24)c2cccc(c12)C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc2cc(N(c4ccc5c6c(ccc5c4)-c4cc5c(cc4C6(C)C)-c4ccccc4C5(C)C)c4cccc5c4oc4ccccc45)ccc2c1C3(C)C.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2cc4c(c5ccccc25)-c2ccc5c(c2C4(C)C)C(C)(C)c2ccccc2-5)c2cccc4c2oc2ccccc24)c2ccccc2c1-3.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cccc2c(N(c4ccc5c6c(cccc46)C(C)(C)c4c-5ccc5c4C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)ccc-3c12.
What is the InChIKey of N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine?
The InChIKey is LOAUBHUSRGPYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C68H53NO/c1-65(2)50-24-12-9-18-38(50)46-34-56-48(36-54(46)65)41-30-32-58(44-22-15-26-52(62(41)44)67(56,5)6)69(60-28-17-21-43-40-20-11-14-29-61(40)70-64(43)60)59-33-31-42-49-37-55-47(39-19-10-13-25-51(39)66(55,3)4)35-57(49)68(7,8)53-27-16-23-45(59)63(42)53;1-65(2)50-24-12-9-18-38(50)43-30-32-45-41-34-36-54(48-22-15-26-52(58(41)48)67(5,6)62(45)60(43)65)69(56-28-17-21-47-40-20-11-14-29-57(40)70-64(47)56)55-37-35-42-46-33-31-44-39-19-10-13-25-51(39)66(3,4)61(44)63(46)68(7,8)53-27-16-23-49(55)59(42)53;1-65(2)54-20-12-9-16-44(54)50-34-58-52(36-56(50)65)47-28-24-38-32-40(26-30-42(38)62(47)67(58,5)6)69(60-22-15-19-49-46-18-11-14-23-61(46)70-64(49)60)41-27-31-43-39(33-41)25-29-48-53-37-57-51(35-59(53)68(7,8)63(43)48)45-17-10-13-21-55(45)66(57,3)4;1-65(2)54-20-12-9-16-44(54)50-34-60-52(36-58(50)65)48-30-38-24-26-42(28-40(38)32-56(48)67(60,5)6)69(62-22-15-19-47-46-18-11-14-23-63(46)70-64(47)62)43-27-25-39-31-49-53-37-59-51(45-17-10-13-21-55(45)66(59,3)4)35-61(53)68(7,8)57(49)33-41(39)29-43;1-65(2)50-28-16-13-20-38(50)46-32-54-48(34-52(46)65)62-43-25-11-9-22-40(43)59(36-56(62)67(54,5)6)69(58-30-19-27-45-42-24-15-18-31-61(42)70-64(45)58)60-37-57-63(44-26-12-10-23-41(44)60)49-35-53-47(33-55(49)68(57,7)8)39-21-14-17-29-51(39)66(53,3)4;1-65(2)50-28-16-13-20-38(50)45-32-34-48-58-43-25-11-9-22-40(43)55(36-52(58)67(5,6)62(48)60(45)65)69(54-30-19-27-47-42-24-15-18-31-57(42)70-64(47)54)56-37-53-59(44-26-12-10-23-41(44)56)49-35-33-46-39-21-14-17-29-51(39)66(3,4)61(46)63(49)68(53,7)8/h6*9-37H,1-8H3.
What are the key properties of N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine?
N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine has a molecular weight of 5401.07 g/mol, XLogP of 111.52, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(5,5,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(24),2(14),3,6,8,10,12,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,15,15-tetramethyl-21-hexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(24),2(14),3,5(13),6,8,10,16,18,20,22-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(12,12,22,22-tetramethyl-7-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaenyl)dibenzofuran-4-amine;N,N-bis(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)dibenzofuran-4-amine is sourced from PubChem (CID 159406658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).