7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine

C434H394N16 — CID 157148198

IUPAC7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine
SMILESCC(C)c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(C(C)C)cc3)c3ccc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(N(c5ccccc5)c5ccc(C(C)C)cc5)c5ccc2c3c54)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccc(C(C)(C)C)cc4cc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(C(C)(C)C)cc34)cc2)cc1.Cc1cc(C)cc(N(c2ccc(CC(C)C)cc2)c2c3c(c(N(c4ccc(CC(C)C)cc4)c4cc(C)cc(C)c4)c4ccccc24)-c2cccc4cccc-3c24)c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4ccccc4cc23)cc1.Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C)c(C)c8)c8ccc(C)c(C)c8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1cccc(N(c2cccc(C)c2)c2c(C)cc(-c3c4cc(C(C)(C)C)ccc4c(N(c4cccc(C)c4)c4cccc(C)c4)c4cc(C(C)(C)C)ccc34)cc2C)c1
InChIInChI=1S/C76H70N4.C70H56N2.C66H48N2.2C58H60N2.C56H54N2.C50H46N2/c1-51(2)55-29-37-63(38-30-55)77(59-21-13-9-14-22-59)71-49-72(78(60-23-15-10-16-24-60)64-39-31-56(32-40-64)52(3)4)68-47-48-70-74(80(62-27-19-12-20-28-62)66-43-35-58(36-44-66)54(7)8)50-73(69-46-45-67(71)75(68)76(69)70)79(61-25-17-11-18-26-61)65-41-33-57(34-42-65)53(5)6;1-41-25-29-51(37-45(41)5)71(52-30-26-42(2)46(6)38-52)61-35-33-59-65-55(61)21-15-23-57(65)67-63(49-17-11-9-12-18-49)70-60-34-36-62(72(53-31-27-43(3)47(7)39-53)54-32-28-44(4)48(8)40-54)56-22-16-24-58(66(56)60)68(70)64(69(59)67)50-19-13-10-14-20-50;1-41-21-29-47(30-22-41)67(48-31-23-42(2)24-32-48)57-39-37-55-61-51(57)17-11-19-53(61)63-59(45-13-7-5-8-14-45)66-56-38-40-58(68(49-33-25-43(3)26-34-49)50-35-27-44(4)28-36-50)52-18-12-20-54(62(52)56)64(66)60(65(55)63)46-15-9-6-10-16-46;1-37-17-13-21-46(29-37)59(47-22-14-18-38(2)30-47)55-41(5)33-43(34-42(55)6)54-50-27-25-45(58(10,11)12)36-53(50)56(51-28-26-44(35-52(51)54)57(7,8)9)60(48-23-15-19-39(3)31-48)49-24-16-20-40(4)32-49;1-39(2)41-21-28-49(29-22-41)59(47-17-13-11-14-18-47)50-32-25-43(26-33-50)56-52-34-27-45(57(5,6)7)35-44(52)36-53-54(56)37-46(58(8,9)10)38-55(53)60(48-19-15-12-16-20-48)51-30-23-42(24-31-51)40(3)4;1-35(2)27-41-19-23-44(24-20-41)57(46-31-37(5)29-38(6)32-46)55-48-15-9-10-16-49(48)56(54-51-18-12-14-43-13-11-17-50(52(43)51)53(54)55)58(47-33-39(7)30-40(8)34-47)45-25-21-42(22-26-45)28-36(3)4;1-33(2)37-19-27-43(28-20-37)51(41-23-15-35(5)16-24-41)49-45-13-9-7-11-39(45)32-48-47(49)31-40-12-8-10-14-46(40)50(48)52(42-25-17-36(6)18-26-42)44-29-21-38(22-30-44)34(3)4/h9-54H,1-8H3;9-40H,1-8H3;5-40H,1-4H3;13-36H,1-12H3;11-40H,1-10H3;9-26,29-36H,27-28H2,1-8H3;7-34H,1-6H3
InChIKeyAKYIBZBSBXRDHD-UHFFFAOYSA-N
MW5834.04 g/mol
LogP127.81
Rot. Bonds66

About 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine

7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine (PubChem CID 157148198) has the molecular formula C434H394N16 and a molecular weight of 5834.04 g/mol. Its IUPAC name is 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine.

Molecular Properties

Compound Name7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine
PubChem CID157148198
Molecular FormulaC434H394N16
Molecular Weight5834.04 g/mol
Exact Mass5829.13
IUPAC Name7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine
SMILESCC(C)c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(C(C)C)cc3)c3ccc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(N(c5ccccc5)c5ccc(C(C)C)cc5)c5ccc2c3c54)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccc(C(C)(C)C)cc4cc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(C(C)(C)C)cc34)cc2)cc1.Cc1cc(C)cc(N(c2ccc(CC(C)C)cc2)c2c3c(c(N(c4ccc(CC(C)C)cc4)c4cc(C)cc(C)c4)c4ccccc24)-c2cccc4cccc-3c24)c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4ccccc4cc23)cc1.Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C)c(C)c8)c8ccc(C)c(C)c8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1cccc(N(c2cccc(C)c2)c2c(C)cc(-c3c4cc(C(C)(C)C)ccc4c(N(c4cccc(C)c4)c4cccc(C)c4)c4cc(C(C)(C)C)ccc34)cc2C)c1
InChIInChI=1S/C76H70N4.C70H56N2.C66H48N2.2C58H60N2.C56H54N2.C50H46N2/c1-51(2)55-29-37-63(38-30-55)77(59-21-13-9-14-22-59)71-49-72(78(60-23-15-10-16-24-60)64-39-31-56(32-40-64)52(3)4)68-47-48-70-74(80(62-27-19-12-20-28-62)66-43-35-58(36-44-66)54(7)8)50-73(69-46-45-67(71)75(68)76(69)70)79(61-25-17-11-18-26-61)65-41-33-57(34-42-65)53(5)6;1-41-25-29-51(37-45(41)5)71(52-30-26-42(2)46(6)38-52)61-35-33-59-65-55(61)21-15-23-57(65)67-63(49-17-11-9-12-18-49)70-60-34-36-62(72(53-31-27-43(3)47(7)39-53)54-32-28-44(4)48(8)40-54)56-22-16-24-58(66(56)60)68(70)64(69(59)67)50-19-13-10-14-20-50;1-41-21-29-47(30-22-41)67(48-31-23-42(2)24-32-48)57-39-37-55-61-51(57)17-11-19-53(61)63-59(45-13-7-5-8-14-45)66-56-38-40-58(68(49-33-25-43(3)26-34-49)50-35-27-44(4)28-36-50)52-18-12-20-54(62(52)56)64(66)60(65(55)63)46-15-9-6-10-16-46;1-37-17-13-21-46(29-37)59(47-22-14-18-38(2)30-47)55-41(5)33-43(34-42(55)6)54-50-27-25-45(58(10,11)12)36-53(50)56(51-28-26-44(35-52(51)54)57(7,8)9)60(48-23-15-19-39(3)31-48)49-24-16-20-40(4)32-49;1-39(2)41-21-28-49(29-22-41)59(47-17-13-11-14-18-47)50-32-25-43(26-33-50)56-52-34-27-45(57(5,6)7)35-44(52)36-53-54(56)37-46(58(8,9)10)38-55(53)60(48-19-15-12-16-20-48)51-30-23-42(24-31-51)40(3)4;1-35(2)27-41-19-23-44(24-20-41)57(46-31-37(5)29-38(6)32-46)55-48-15-9-10-16-49(48)56(54-51-18-12-14-43-13-11-17-50(52(43)51)53(54)55)58(47-33-39(7)30-40(8)34-47)45-25-21-42(22-26-45)28-36(3)4;1-33(2)37-19-27-43(28-20-37)51(41-23-15-35(5)16-24-41)49-45-13-9-7-11-39(45)32-48-47(49)31-40-12-8-10-14-46(40)50(48)52(42-25-17-36(6)18-26-42)44-29-21-38(22-30-44)34(3)4/h9-54H,1-8H3;9-40H,1-8H3;5-40H,1-4H3;13-36H,1-12H3;11-40H,1-10H3;9-26,29-36H,27-28H2,1-8H3;7-34H,1-6H3
InChIKeyAKYIBZBSBXRDHD-UHFFFAOYSA-N
XLogP127.81
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds66
Heavy Atoms450
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005834.04
LogP ≤ 5127.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine with MolForge

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What is the IUPAC name of 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine?
The IUPAC name of 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine (CID 157148198) is 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine.
What is the SMILES notation for 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine?
The canonical SMILES for 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine is CC(C)c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(C(C)C)cc3)c3ccc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(N(c5ccccc5)c5ccc(C(C)C)cc5)c5ccc2c3c54)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccc(C(C)(C)C)cc4cc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(C(C)(C)C)cc34)cc2)cc1.Cc1cc(C)cc(N(c2ccc(CC(C)C)cc2)c2c3c(c(N(c4ccc(CC(C)C)cc4)c4cc(C)cc(C)c4)c4ccccc24)-c2cccc4cccc-3c24)c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4ccccc4cc23)cc1.Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C)c(C)c8)c8ccc(C)c(C)c8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1cccc(N(c2cccc(C)c2)c2c(C)cc(-c3c4cc(C(C)(C)C)ccc4c(N(c4cccc(C)c4)c4cccc(C)c4)c4cc(C(C)(C)C)ccc34)cc2C)c1.
What is the InChIKey of 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine?
The InChIKey is AKYIBZBSBXRDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H70N4.C70H56N2.C66H48N2.2C58H60N2.C56H54N2.C50H46N2/c1-51(2)55-29-37-63(38-30-55)77(59-21-13-9-14-22-59)71-49-72(78(60-23-15-10-16-24-60)64-39-31-56(32-40-64)52(3)4)68-47-48-70-74(80(62-27-19-12-20-28-62)66-43-35-58(36-44-66)54(7)8)50-73(69-46-45-67(71)75(68)76(69)70)79(61-25-17-11-18-26-61)65-41-33-57(34-42-65)53(5)6;1-41-25-29-51(37-45(41)5)71(52-30-26-42(2)46(6)38-52)61-35-33-59-65-55(61)21-15-23-57(65)67-63(49-17-11-9-12-18-49)70-60-34-36-62(72(53-31-27-43(3)47(7)39-53)54-32-28-44(4)48(8)40-54)56-22-16-24-58(66(56)60)68(70)64(69(59)67)50-19-13-10-14-20-50;1-41-21-29-47(30-22-41)67(48-31-23-42(2)24-32-48)57-39-37-55-61-51(57)17-11-19-53(61)63-59(45-13-7-5-8-14-45)66-56-38-40-58(68(49-33-25-43(3)26-34-49)50-35-27-44(4)28-36-50)52-18-12-20-54(62(52)56)64(66)60(65(55)63)46-15-9-6-10-16-46;1-37-17-13-21-46(29-37)59(47-22-14-18-38(2)30-47)55-41(5)33-43(34-42(55)6)54-50-27-25-45(58(10,11)12)36-53(50)56(51-28-26-44(35-52(51)54)57(7,8)9)60(48-23-15-19-39(3)31-48)49-24-16-20-40(4)32-49;1-39(2)41-21-28-49(29-22-41)59(47-17-13-11-14-18-47)50-32-25-43(26-33-50)56-52-34-27-45(57(5,6)7)35-44(52)36-53-54(56)37-46(58(8,9)10)38-55(53)60(48-19-15-12-16-20-48)51-30-23-42(24-31-51)40(3)4;1-35(2)27-41-19-23-44(24-20-41)57(46-31-37(5)29-38(6)32-46)55-48-15-9-10-16-49(48)56(54-51-18-12-14-43-13-11-17-50(52(43)51)53(54)55)58(47-33-39(7)30-40(8)34-47)45-25-21-42(22-26-45)28-36(3)4;1-33(2)37-19-27-43(28-20-37)51(41-23-15-35(5)16-24-41)49-45-13-9-7-11-39(45)32-48-47(49)31-40-12-8-10-14-46(40)50(48)52(42-25-17-36(6)18-26-42)44-29-21-38(22-30-44)34(3)4/h9-54H,1-8H3;9-40H,1-8H3;5-40H,1-4H3;13-36H,1-12H3;11-40H,1-10H3;9-26,29-36H,27-28H2,1-8H3;7-34H,1-6H3.
What are the key properties of 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine?
7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine has a molecular weight of 5834.04 g/mol, XLogP of 127.81, 66 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,12-N-bis(3,5-dimethylphenyl)-7-N,12-N-bis[4-(2-methylpropyl)phenyl]benzo[k]fluoranthene-7,12-diamine;5-N,11-N-bis(4-methylphenyl)-5-N,11-N-bis(4-propan-2-ylphenyl)tetracene-5,11-diamine;2,6-ditert-butyl-10-[3,5-dimethyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)anthracen-9-amine;3,7-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)-10-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]anthracen-1-amine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-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;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-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;1-N,3-N,6-N,8-N-tetraphenyl-1-N,3-N,6-N,8-N-tetrakis(4-propan-2-ylphenyl)pyrene-1,3,6,8-tetramine is sourced from PubChem (CID 157148198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).