3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

C246H240N6 — CID 165105192

IUPAC3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCCc1cc(CCCC)cc(N(c2cc(CCCC)cc(CCCC)c2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7cc(CCCC)cc(CCCC)c7)c7cc(CCCC)cc(CCCC)c7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c1.CCCc1ccc(N(c2ccc(CCC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CCC)cc7)c7ccc(CCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C94H104N2.C78H72N2.C74H64N2/c1-9-17-33-65-53-66(34-18-10-2)58-75(57-65)95(76-59-67(35-19-11-3)54-68(60-76)36-20-12-4)85-51-49-83-89-79(85)45-31-47-81(89)91-87(73-41-27-25-28-42-73)92-82-48-32-46-80-86(52-50-84(90(80)82)94(92)88(93(83)91)74-43-29-26-30-44-74)96(77-61-69(37-21-13-5)55-70(62-77)38-22-14-6)78-63-71(39-23-15-7)56-72(64-78)40-24-16-8;1-75(2,3)51-29-37-55(38-30-51)79(56-39-31-52(32-40-56)76(4,5)6)65-47-45-63-69-59(65)25-19-27-61(69)71-67(49-21-15-13-16-22-49)72-62-28-20-26-60-66(48-46-64(70(60)62)74(72)68(73(63)71)50-23-17-14-18-24-50)80(57-41-33-53(34-42-57)77(7,8)9)58-43-35-54(36-44-58)78(10,11)12;1-5-17-49-29-37-55(38-30-49)75(56-39-31-50(18-6-2)32-40-56)65-47-45-63-69-59(65)25-15-27-61(69)71-67(53-21-11-9-12-22-53)72-62-28-16-26-60-66(48-46-64(70(60)62)74(72)68(73(63)71)54-23-13-10-14-24-54)76(57-41-33-51(19-7-3)34-42-57)58-43-35-52(20-8-4)36-44-58/h25-32,41-64H,9-24,33-40H2,1-8H3;13-48H,1-12H3;9-16,21-48H,5-8,17-20H2,1-4H3
InChIKeyYZUCEVCXNJIWOG-UHFFFAOYSA-N
MW3280.67 g/mol
LogP73.01
Rot. Bonds56

About 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (PubChem CID 165105192) has the molecular formula C246H240N6 and a molecular weight of 3280.67 g/mol. Its IUPAC name is 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.

Molecular Properties

Compound Name3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
PubChem CID165105192
Molecular FormulaC246H240N6
Molecular Weight3280.67 g/mol
Exact Mass3277.90
IUPAC Name3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCCc1cc(CCCC)cc(N(c2cc(CCCC)cc(CCCC)c2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7cc(CCCC)cc(CCCC)c7)c7cc(CCCC)cc(CCCC)c7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c1.CCCc1ccc(N(c2ccc(CCC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CCC)cc7)c7ccc(CCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C94H104N2.C78H72N2.C74H64N2/c1-9-17-33-65-53-66(34-18-10-2)58-75(57-65)95(76-59-67(35-19-11-3)54-68(60-76)36-20-12-4)85-51-49-83-89-79(85)45-31-47-81(89)91-87(73-41-27-25-28-42-73)92-82-48-32-46-80-86(52-50-84(90(80)82)94(92)88(93(83)91)74-43-29-26-30-44-74)96(77-61-69(37-21-13-5)55-70(62-77)38-22-14-6)78-63-71(39-23-15-7)56-72(64-78)40-24-16-8;1-75(2,3)51-29-37-55(38-30-51)79(56-39-31-52(32-40-56)76(4,5)6)65-47-45-63-69-59(65)25-19-27-61(69)71-67(49-21-15-13-16-22-49)72-62-28-20-26-60-66(48-46-64(70(60)62)74(72)68(73(63)71)50-23-17-14-18-24-50)80(57-41-33-53(34-42-57)77(7,8)9)58-43-35-54(36-44-58)78(10,11)12;1-5-17-49-29-37-55(38-30-49)75(56-39-31-50(18-6-2)32-40-56)65-47-45-63-69-59(65)25-15-27-61(69)71-67(53-21-11-9-12-22-53)72-62-28-16-26-60-66(48-46-64(70(60)62)74(72)68(73(63)71)54-23-13-10-14-24-54)76(57-41-33-51(19-7-3)34-42-57)58-43-35-52(20-8-4)36-44-58/h25-32,41-64H,9-24,33-40H2,1-8H3;13-48H,1-12H3;9-16,21-48H,5-8,17-20H2,1-4H3
InChIKeyYZUCEVCXNJIWOG-UHFFFAOYSA-N
XLogP73.01
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds56
Heavy Atoms252
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003280.67
LogP ≤ 573.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine with MolForge

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Related Compounds

8-N,8-N,22-N,22-N-tetrakis(4-butoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890322
8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 162139963
8-N,22-N-bis(4-ethylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propoxyphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890314
8-N,8-N,20-N,20-N-tetrakis[3,5-di(butan-2-yl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 58890444
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
CID 59836976
3-N,6-N-bis(4-tert-butylphenyl)-3-N,6-N-diphenylbenzo[e]pyrene-3,6-diamine
CID 118581671
26-tert-butyl-N,N-bis(4-isocyanophenyl)-3,15-diphenyldecacyclo[18.12.2.15,9.121,25.02,16.04,14.017,33.030,34.013,36.029,35]hexatriaconta-1(32),2,4(14),5(36),6,8,10,12,15,17(33),18,20(34),21(35),22,24,26,28,30-octadecaen-8-amine
CID 156630042
4-N,4-N-bis[4-(4-butylphenyl)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;4-N,4-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;2-N,6-N-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-ylnaphthalene-2,6-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylphenanthrene-2,7-diamine;4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-methyl-N-(4-methylphenyl)-N-[4-(6-phenanthren-2-ylnaphthalen-2-yl)phenyl]aniline
CID 162053979
N,N,3,15-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine
CID 58068321

Frequently Asked Questions

What is the IUPAC name of 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
The IUPAC name of 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (CID 165105192) is 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.
What is the SMILES notation for 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
The canonical SMILES for 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCCc1cc(CCCC)cc(N(c2cc(CCCC)cc(CCCC)c2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7cc(CCCC)cc(CCCC)c7)c7cc(CCCC)cc(CCCC)c7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c1.CCCc1ccc(N(c2ccc(CCC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CCC)cc7)c7ccc(CCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.
What is the InChIKey of 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
The InChIKey is YZUCEVCXNJIWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H104N2.C78H72N2.C74H64N2/c1-9-17-33-65-53-66(34-18-10-2)58-75(57-65)95(76-59-67(35-19-11-3)54-68(60-76)36-20-12-4)85-51-49-83-89-79(85)45-31-47-81(89)91-87(73-41-27-25-28-42-73)92-82-48-32-46-80-86(52-50-84(90(80)82)94(92)88(93(83)91)74-43-29-26-30-44-74)96(77-61-69(37-21-13-5)55-70(62-77)38-22-14-6)78-63-71(39-23-15-7)56-72(64-78)40-24-16-8;1-75(2,3)51-29-37-55(38-30-51)79(56-39-31-52(32-40-56)76(4,5)6)65-47-45-63-69-59(65)25-19-27-61(69)71-67(49-21-15-13-16-22-49)72-62-28-20-26-60-66(48-46-64(70(60)62)74(72)68(73(63)71)50-23-17-14-18-24-50)80(57-41-33-53(34-42-57)77(7,8)9)58-43-35-54(36-44-58)78(10,11)12;1-5-17-49-29-37-55(38-30-49)75(56-39-31-50(18-6-2)32-40-56)65-47-45-63-69-59(65)25-15-27-61(69)71-67(53-21-11-9-12-22-53)72-62-28-16-26-60-66(48-46-64(70(60)62)74(72)68(73(63)71)54-23-13-10-14-24-54)76(57-41-33-51(19-7-3)34-42-57)58-43-35-52(20-8-4)36-44-58/h25-32,41-64H,9-24,33-40H2,1-8H3;13-48H,1-12H3;9-16,21-48H,5-8,17-20H2,1-4H3.
What are the key properties of 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine has a molecular weight of 3280.67 g/mol, XLogP of 73.01, 56 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is sourced from PubChem (CID 165105192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).