9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C272H240N8 — CID 157364390

IUPAC9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3c(cc2-4)-c2cc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4cc2C3(C)C)cc1.CC1(C)c2cc3c(cc2-c2cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4cc21)-c1cc2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc2cc1C3(C)C.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3c(cc2-4)-c2cc4ccc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc4cc2C3(C)C)cc(C)c1C.c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)Cc2cc3c(cc2-4)-c2cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc2C3)cc1
InChIInChI=1S/C80H60N2.C72H76N2.C68H68N2.C52H36N2/c1-79(2)75-49-63-45-69(81(65-35-25-57(26-36-65)53-17-9-5-10-18-53)66-37-27-58(28-38-66)54-19-11-6-12-20-54)43-33-61(63)47-71(75)73-51-74-72-48-62-34-44-70(46-64(62)50-76(72)80(3,4)78(74)52-77(73)79)82(67-39-29-59(30-40-67)55-21-13-7-14-22-55)68-41-31-60(32-42-68)56-23-15-8-16-24-56;1-67(2,3)49-19-29-53(30-20-49)73(54-31-21-50(22-32-54)68(4,5)6)57-27-17-45-39-59-61-43-62-60-40-46-18-28-58(74(55-33-23-51(24-34-55)69(7,8)9)56-35-25-52(26-36-56)70(10,11)12)38-48(46)42-64(60)72(15,16)66(62)44-65(61)71(13,14)63(59)41-47(45)37-57;1-37-21-55(22-38(2)45(37)9)69(56-23-39(3)46(10)40(4)24-56)53-19-17-49-31-59-61-35-62-60-32-50-18-20-54(70(57-25-41(5)47(11)42(6)26-57)58-27-43(7)48(12)44(8)28-58)30-52(50)34-64(60)68(15,16)66(62)36-65(61)67(13,14)63(59)33-51(49)29-53;1-5-13-43(14-6-1)53(44-15-7-2-8-16-44)47-23-21-35-32-49-39(25-37(35)30-47)27-41-29-42-28-40-26-38-31-48(24-22-36(38)33-50(40)52(42)34-51(41)49)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h5-52H,1-4H3;17-44H,1-16H3;17-36H,1-16H3;1-26,29-34H,27-28H2
InChIKeyBIZZBEZMGSUAGQ-UHFFFAOYSA-N
MW3620.97 g/mol
LogP76.27
Rot. Bonds28

About 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 157364390) has the molecular formula C272H240N8 and a molecular weight of 3620.97 g/mol. Its IUPAC name is 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
PubChem CID157364390
Molecular FormulaC272H240N8
Molecular Weight3620.97 g/mol
Exact Mass3617.90
IUPAC Name9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3c(cc2-4)-c2cc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4cc2C3(C)C)cc1.CC1(C)c2cc3c(cc2-c2cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4cc21)-c1cc2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc2cc1C3(C)C.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3c(cc2-4)-c2cc4ccc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc4cc2C3(C)C)cc(C)c1C.c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)Cc2cc3c(cc2-4)-c2cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc2C3)cc1
InChIInChI=1S/C80H60N2.C72H76N2.C68H68N2.C52H36N2/c1-79(2)75-49-63-45-69(81(65-35-25-57(26-36-65)53-17-9-5-10-18-53)66-37-27-58(28-38-66)54-19-11-6-12-20-54)43-33-61(63)47-71(75)73-51-74-72-48-62-34-44-70(46-64(62)50-76(72)80(3,4)78(74)52-77(73)79)82(67-39-29-59(30-40-67)55-21-13-7-14-22-55)68-41-31-60(32-42-68)56-23-15-8-16-24-56;1-67(2,3)49-19-29-53(30-20-49)73(54-31-21-50(22-32-54)68(4,5)6)57-27-17-45-39-59-61-43-62-60-40-46-18-28-58(74(55-33-23-51(24-34-55)69(7,8)9)56-35-25-52(26-36-56)70(10,11)12)38-48(46)42-64(60)72(15,16)66(62)44-65(61)71(13,14)63(59)41-47(45)37-57;1-37-21-55(22-38(2)45(37)9)69(56-23-39(3)46(10)40(4)24-56)53-19-17-49-31-59-61-35-62-60-32-50-18-20-54(70(57-25-41(5)47(11)42(6)26-57)58-27-43(7)48(12)44(8)28-58)30-52(50)34-64(60)68(15,16)66(62)36-65(61)67(13,14)63(59)33-51(49)29-53;1-5-13-43(14-6-1)53(44-15-7-2-8-16-44)47-23-21-35-32-49-39(25-37(35)30-47)27-41-29-42-28-40-26-38-31-48(24-22-36(38)33-50(40)52(42)34-51(41)49)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h5-52H,1-4H3;17-44H,1-16H3;17-36H,1-16H3;1-26,29-34H,27-28H2
InChIKeyBIZZBEZMGSUAGQ-UHFFFAOYSA-N
XLogP76.27
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms280
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003620.97
LogP ≤ 576.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 157364390) is 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3c(cc2-4)-c2cc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4cc2C3(C)C)cc1.CC1(C)c2cc3c(cc2-c2cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4cc21)-c1cc2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc2cc1C3(C)C.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3c(cc2-4)-c2cc4ccc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc4cc2C3(C)C)cc(C)c1C.c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)Cc2cc3c(cc2-4)-c2cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc2C3)cc1.
What is the InChIKey of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The InChIKey is BIZZBEZMGSUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60N2.C72H76N2.C68H68N2.C52H36N2/c1-79(2)75-49-63-45-69(81(65-35-25-57(26-36-65)53-17-9-5-10-18-53)66-37-27-58(28-38-66)54-19-11-6-12-20-54)43-33-61(63)47-71(75)73-51-74-72-48-62-34-44-70(46-64(62)50-76(72)80(3,4)78(74)52-77(73)79)82(67-39-29-59(30-40-67)55-21-13-7-14-22-55)68-41-31-60(32-42-68)56-23-15-8-16-24-56;1-67(2,3)49-19-29-53(30-20-49)73(54-31-21-50(22-32-54)68(4,5)6)57-27-17-45-39-59-61-43-62-60-40-46-18-28-58(74(55-33-23-51(24-34-55)69(7,8)9)56-35-25-52(26-36-56)70(10,11)12)38-48(46)42-64(60)72(15,16)66(62)44-65(61)71(13,14)63(59)41-47(45)37-57;1-37-21-55(22-38(2)45(37)9)69(56-23-39(3)46(10)40(4)24-56)53-19-17-49-31-59-61-35-62-60-32-50-18-20-54(70(57-25-41(5)47(11)42(6)26-57)58-27-43(7)48(12)44(8)28-58)30-52(50)34-64(60)68(15,16)66(62)36-65(61)67(13,14)63(59)33-51(49)29-53;1-5-13-43(14-6-1)53(44-15-7-2-8-16-44)47-23-21-35-32-49-39(25-37(35)30-47)27-41-29-42-28-40-26-38-31-48(24-22-36(38)33-50(40)52(42)34-51(41)49)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h5-52H,1-4H3;17-44H,1-16H3;17-36H,1-16H3;1-26,29-34H,27-28H2.
What are the key properties of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 3620.97 g/mol, XLogP of 76.27, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 157364390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).