6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine

C362H388N12 — CID 162086038

IUPAC6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1.Cc1cc(C)cc(N(c2cc(C(C)C)cc(C(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C)cc(C)c4)c4cc(C(C)C)cc(C(C)C)c4)cc3c3ccccc23)c1.Cc1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc(C)c1C.Cc1cc2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)cc3c2cc1C.Cc1ccc(N(c2cc(C(C)C)cc(C(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)C)cc(C(C)C)c4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3ccc(C(C)C)cc23)cc1C
InChIInChI=1S/C74H94N2.C64H74N2.2C58H62N2.C56H58N2.C52H38N2/c1-67(2,3)47-33-48(68(4,5)6)38-55(37-47)75(56-39-49(69(7,8)9)34-50(40-56)70(10,11)12)65-45-63-60-30-26-28-32-62(60)66(46-64(63)59-29-25-27-31-61(59)65)76(57-41-51(71(13,14)15)35-52(42-57)72(16,17)18)58-43-53(73(19,20)21)36-54(44-58)74(22,23)24;1-39-27-49(28-40(2)43(39)5)65(51-33-45(61(7,8)9)31-46(34-51)62(10,11)12)59-37-57-54-24-20-22-26-56(54)60(38-58(57)53-23-19-21-25-55(53)59)66(50-29-41(3)44(6)42(4)30-50)52-35-47(63(13,14)15)32-48(36-52)64(16,17)18;1-35(2)43-27-44(36(3)4)30-49(29-43)59(47-23-39(9)21-40(10)24-47)57-33-55-52-18-14-16-20-54(52)58(34-56(55)51-17-13-15-19-53(51)57)60(48-25-41(11)22-42(12)26-48)50-31-45(37(5)6)28-46(32-50)38(7)8;1-35(2)43-27-44(36(3)4)30-49(29-43)59(47-23-21-39(9)41(11)25-47)57-33-55-52-18-14-16-20-54(52)58(34-56(55)51-17-13-15-19-53(51)57)60(48-24-22-40(10)42(12)26-48)50-31-45(37(5)6)28-46(32-50)38(7)8;1-33(2)43-17-23-49-51-32-56(58(47-21-15-37(7)41(11)27-47)48-22-16-38(8)42(12)28-48)54-30-44(34(3)4)18-24-50(54)52(51)31-55(53(49)29-43)57(45-19-13-35(5)39(9)25-45)46-20-14-36(6)40(10)26-46;1-35-29-47-49-34-51(53(41-19-5-3-6-20-41)43-27-25-37-15-9-11-17-39(37)31-43)46-24-14-13-23-45(46)48(49)33-52(50(47)30-36(35)2)54(42-21-7-4-8-22-42)44-28-26-38-16-10-12-18-40(38)32-44/h25-46H,1-24H3;19-38H,1-18H3;2*13-38H,1-12H3;13-34H,1-12H3;3-34H,1-2H3
InChIKeyZCYVQAIVAWPBBY-UHFFFAOYSA-N
MW4907.17 g/mol
LogP109.03
Rot. Bonds46

About 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine

6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine (PubChem CID 162086038) has the molecular formula C362H388N12 and a molecular weight of 4907.17 g/mol. Its IUPAC name is 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
PubChem CID162086038
Molecular FormulaC362H388N12
Molecular Weight4907.17 g/mol
Exact Mass4903.07
IUPAC Name6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1.Cc1cc(C)cc(N(c2cc(C(C)C)cc(C(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C)cc(C)c4)c4cc(C(C)C)cc(C(C)C)c4)cc3c3ccccc23)c1.Cc1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc(C)c1C.Cc1cc2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)cc3c2cc1C.Cc1ccc(N(c2cc(C(C)C)cc(C(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)C)cc(C(C)C)c4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3ccc(C(C)C)cc23)cc1C
InChIInChI=1S/C74H94N2.C64H74N2.2C58H62N2.C56H58N2.C52H38N2/c1-67(2,3)47-33-48(68(4,5)6)38-55(37-47)75(56-39-49(69(7,8)9)34-50(40-56)70(10,11)12)65-45-63-60-30-26-28-32-62(60)66(46-64(63)59-29-25-27-31-61(59)65)76(57-41-51(71(13,14)15)35-52(42-57)72(16,17)18)58-43-53(73(19,20)21)36-54(44-58)74(22,23)24;1-39-27-49(28-40(2)43(39)5)65(51-33-45(61(7,8)9)31-46(34-51)62(10,11)12)59-37-57-54-24-20-22-26-56(54)60(38-58(57)53-23-19-21-25-55(53)59)66(50-29-41(3)44(6)42(4)30-50)52-35-47(63(13,14)15)32-48(36-52)64(16,17)18;1-35(2)43-27-44(36(3)4)30-49(29-43)59(47-23-39(9)21-40(10)24-47)57-33-55-52-18-14-16-20-54(52)58(34-56(55)51-17-13-15-19-53(51)57)60(48-25-41(11)22-42(12)26-48)50-31-45(37(5)6)28-46(32-50)38(7)8;1-35(2)43-27-44(36(3)4)30-49(29-43)59(47-23-21-39(9)41(11)25-47)57-33-55-52-18-14-16-20-54(52)58(34-56(55)51-17-13-15-19-53(51)57)60(48-24-22-40(10)42(12)26-48)50-31-45(37(5)6)28-46(32-50)38(7)8;1-33(2)43-17-23-49-51-32-56(58(47-21-15-37(7)41(11)27-47)48-22-16-38(8)42(12)28-48)54-30-44(34(3)4)18-24-50(54)52(51)31-55(53(49)29-43)57(45-19-13-35(5)39(9)25-45)46-20-14-36(6)40(10)26-46;1-35-29-47-49-34-51(53(41-19-5-3-6-20-41)43-27-25-37-15-9-11-17-39(37)31-43)46-24-14-13-23-45(46)48(49)33-52(50(47)30-36(35)2)54(42-21-7-4-8-22-42)44-28-26-38-16-10-12-18-40(38)32-44/h25-46H,1-24H3;19-38H,1-18H3;2*13-38H,1-12H3;13-34H,1-12H3;3-34H,1-2H3
InChIKeyZCYVQAIVAWPBBY-UHFFFAOYSA-N
XLogP109.03
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds46
Heavy Atoms374
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004907.17
LogP ≤ 5109.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine with MolForge

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Related Compounds

12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine
CID 159982516
6-N-(3-tert-butylphenyl)-12-N-(3,5-dimethylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 58599792
6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)-3,9-di(propan-2-yl)chrysene-6,12-diamine
CID 59793019
7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine
CID 160570931
6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3-tert-butyl-5-methylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine
CID 159830725
6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-dinaphthalen-2-ylchrysene-6,12-diamine
CID 59515013
2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
CID 158150656
8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)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;8-N,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)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;8-N,8-N,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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(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
CID 159671581
8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)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;8-N,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)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;8-N,8-N,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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 158507814
6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,5-dimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-methylphenyl)-2-(4-propylcyclohexyl)chrysene-6,12-diamine
CID 158210777
1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158240159
6-N,6-N,12-N,12-N-tetrakis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine
CID 59514978

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine (CID 162086038) is 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine is CC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3ccccc23)cc(C(C)(C)C)c1.Cc1cc(C)cc(N(c2cc(C(C)C)cc(C(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C)cc(C)c4)c4cc(C(C)C)cc(C(C)C)c4)cc3c3ccccc23)c1.Cc1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C)c(C)c(C)c4)cc3c3ccccc23)cc(C)c1C.Cc1cc2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)cc3c2cc1C.Cc1ccc(N(c2cc(C(C)C)cc(C(C)C)c2)c2cc3c4ccccc4c(N(c4cc(C(C)C)cc(C(C)C)c4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3ccc(C(C)C)cc23)cc1C.
What is the InChIKey of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
The InChIKey is ZCYVQAIVAWPBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H94N2.C64H74N2.2C58H62N2.C56H58N2.C52H38N2/c1-67(2,3)47-33-48(68(4,5)6)38-55(37-47)75(56-39-49(69(7,8)9)34-50(40-56)70(10,11)12)65-45-63-60-30-26-28-32-62(60)66(46-64(63)59-29-25-27-31-61(59)65)76(57-41-51(71(13,14)15)35-52(42-57)72(16,17)18)58-43-53(73(19,20)21)36-54(44-58)74(22,23)24;1-39-27-49(28-40(2)43(39)5)65(51-33-45(61(7,8)9)31-46(34-51)62(10,11)12)59-37-57-54-24-20-22-26-56(54)60(38-58(57)53-23-19-21-25-55(53)59)66(50-29-41(3)44(6)42(4)30-50)52-35-47(63(13,14)15)32-48(36-52)64(16,17)18;1-35(2)43-27-44(36(3)4)30-49(29-43)59(47-23-39(9)21-40(10)24-47)57-33-55-52-18-14-16-20-54(52)58(34-56(55)51-17-13-15-19-53(51)57)60(48-25-41(11)22-42(12)26-48)50-31-45(37(5)6)28-46(32-50)38(7)8;1-35(2)43-27-44(36(3)4)30-49(29-43)59(47-23-21-39(9)41(11)25-47)57-33-55-52-18-14-16-20-54(52)58(34-56(55)51-17-13-15-19-53(51)57)60(48-24-22-40(10)42(12)26-48)50-31-45(37(5)6)28-46(32-50)38(7)8;1-33(2)43-17-23-49-51-32-56(58(47-21-15-37(7)41(11)27-47)48-22-16-38(8)42(12)28-48)54-30-44(34(3)4)18-24-50(54)52(51)31-55(53(49)29-43)57(45-19-13-35(5)39(9)25-45)46-20-14-36(6)40(10)26-46;1-35-29-47-49-34-51(53(41-19-5-3-6-20-41)43-27-25-37-15-9-11-17-39(37)31-43)46-24-14-13-23-45(46)48(49)33-52(50(47)30-36(35)2)54(42-21-7-4-8-22-42)44-28-26-38-16-10-12-18-40(38)32-44/h25-46H,1-24H3;19-38H,1-18H3;2*13-38H,1-12H3;13-34H,1-12H3;3-34H,1-2H3.
What are the key properties of 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine has a molecular weight of 4907.17 g/mol, XLogP of 109.03, 46 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine is sourced from PubChem (CID 162086038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).