6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine

C394H388N12 — CID 159604169

IUPAC6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine
SMILESCCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CCCCCC)cc4)cc3)c3cc4c5ccccc5c(N(c5ccc(-c6ccc(CCCCCC)cc6)cc5)c5ccc(-c6ccc(CCCCCC)cc6)cc5)cc4c4ccccc34)cc2)cc1.CCCCCCc1ccc(N(c2ccc(C(C)C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C(C)C)c(C)c4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4cccc5ccccc45)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(C5CCCCC5)cc4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C
InChIInChI=1S/C90H94N2.C64H46N2.C62H58N2.C62H70N2.C58H58N2.C58H62N2/c1-5-9-13-17-25-67-33-41-71(42-34-67)75-49-57-79(58-50-75)91(80-59-51-76(52-60-80)72-43-35-68(36-44-72)26-18-14-10-6-2)89-65-87-84-30-22-24-32-86(84)90(66-88(87)83-29-21-23-31-85(83)89)92(81-61-53-77(54-62-81)73-45-37-69(38-46-73)27-19-15-11-7-3)82-63-55-78(56-64-82)74-47-39-70(40-48-74)28-20-16-12-8-4;1-43-25-33-49(34-26-43)65(51-37-29-47(30-38-51)55-23-11-15-45-13-3-5-17-53(45)55)63-41-61-58-20-8-10-22-60(58)64(42-62(61)57-19-7-9-21-59(57)63)66(50-35-27-44(2)28-36-50)52-39-31-48(32-40-52)56-24-12-16-46-14-4-6-18-54(46)56;1-3-5-7-9-21-45-35-39-49(40-36-45)63(59-33-19-25-47-23-11-13-27-51(47)59)61-43-57-54-30-16-18-32-56(54)62(44-58(57)53-29-15-17-31-55(53)61)64(60-34-20-26-48-24-12-14-28-52(48)60)50-41-37-46(38-42-50)22-10-8-6-4-2;1-9-11-13-15-21-47-27-31-49(32-28-47)63(51-35-37-53(43(3)4)45(7)39-51)61-41-59-56-24-18-20-26-58(56)62(42-60(59)55-23-17-19-25-57(55)61)64(52-36-38-54(44(5)6)46(8)40-52)50-33-29-48(30-34-50)22-16-14-12-10-2;1-39-23-29-49(35-41(39)3)59(47-31-25-45(26-32-47)43-15-7-5-8-16-43)57-37-55-52-20-12-14-22-54(52)58(38-56(55)51-19-11-13-21-53(51)57)60(50-30-24-40(2)42(4)36-50)48-33-27-46(28-34-48)44-17-9-6-10-18-44;1-7-9-11-13-19-45-27-33-47(34-28-45)59(49-31-25-41(3)43(5)37-49)57-39-55-52-22-16-18-24-54(52)58(40-56(55)51-21-15-17-23-53(51)57)60(50-32-26-42(4)44(6)38-50)48-35-29-46(30-36-48)20-14-12-10-8-2/h21-24,29-66H,5-20,25-28H2,1-4H3;3-42H,1-2H3;11-20,23-44H,3-10,21-22H2,1-2H3;17-20,23-44H,9-16,21-22H2,1-8H3;11-14,19-38,43-44H,5-10,15-18H2,1-4H3;15-18,21-40H,7-14,19-20H2,1-6H3
InChIKeyMLWBRKJFQVAFBH-UHFFFAOYSA-N
MW5291.52 g/mol
LogP118.40
Rot. Bonds96

About 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine

6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine (PubChem CID 159604169) has the molecular formula C394H388N12 and a molecular weight of 5291.52 g/mol. Its IUPAC name is 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine
PubChem CID159604169
Molecular FormulaC394H388N12
Molecular Weight5291.52 g/mol
Exact Mass5287.07
IUPAC Name6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine
SMILESCCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CCCCCC)cc4)cc3)c3cc4c5ccccc5c(N(c5ccc(-c6ccc(CCCCCC)cc6)cc5)c5ccc(-c6ccc(CCCCCC)cc6)cc5)cc4c4ccccc34)cc2)cc1.CCCCCCc1ccc(N(c2ccc(C(C)C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C(C)C)c(C)c4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4cccc5ccccc45)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(C5CCCCC5)cc4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C
InChIInChI=1S/C90H94N2.C64H46N2.C62H58N2.C62H70N2.C58H58N2.C58H62N2/c1-5-9-13-17-25-67-33-41-71(42-34-67)75-49-57-79(58-50-75)91(80-59-51-76(52-60-80)72-43-35-68(36-44-72)26-18-14-10-6-2)89-65-87-84-30-22-24-32-86(84)90(66-88(87)83-29-21-23-31-85(83)89)92(81-61-53-77(54-62-81)73-45-37-69(38-46-73)27-19-15-11-7-3)82-63-55-78(56-64-82)74-47-39-70(40-48-74)28-20-16-12-8-4;1-43-25-33-49(34-26-43)65(51-37-29-47(30-38-51)55-23-11-15-45-13-3-5-17-53(45)55)63-41-61-58-20-8-10-22-60(58)64(42-62(61)57-19-7-9-21-59(57)63)66(50-35-27-44(2)28-36-50)52-39-31-48(32-40-52)56-24-12-16-46-14-4-6-18-54(46)56;1-3-5-7-9-21-45-35-39-49(40-36-45)63(59-33-19-25-47-23-11-13-27-51(47)59)61-43-57-54-30-16-18-32-56(54)62(44-58(57)53-29-15-17-31-55(53)61)64(60-34-20-26-48-24-12-14-28-52(48)60)50-41-37-46(38-42-50)22-10-8-6-4-2;1-9-11-13-15-21-47-27-31-49(32-28-47)63(51-35-37-53(43(3)4)45(7)39-51)61-41-59-56-24-18-20-26-58(56)62(42-60(59)55-23-17-19-25-57(55)61)64(52-36-38-54(44(5)6)46(8)40-52)50-33-29-48(30-34-50)22-16-14-12-10-2;1-39-23-29-49(35-41(39)3)59(47-31-25-45(26-32-47)43-15-7-5-8-16-43)57-37-55-52-20-12-14-22-54(52)58(38-56(55)51-19-11-13-21-53(51)57)60(50-30-24-40(2)42(4)36-50)48-33-27-46(28-34-48)44-17-9-6-10-18-44;1-7-9-11-13-19-45-27-33-47(34-28-45)59(49-31-25-41(3)43(5)37-49)57-39-55-52-22-16-18-24-54(52)58(40-56(55)51-21-15-17-23-53(51)57)60(50-32-26-42(4)44(6)38-50)48-35-29-46(30-36-48)20-14-12-10-8-2/h21-24,29-66H,5-20,25-28H2,1-4H3;3-42H,1-2H3;11-20,23-44H,3-10,21-22H2,1-2H3;17-20,23-44H,9-16,21-22H2,1-8H3;11-14,19-38,43-44H,5-10,15-18H2,1-4H3;15-18,21-40H,7-14,19-20H2,1-6H3
InChIKeyMLWBRKJFQVAFBH-UHFFFAOYSA-N
XLogP118.40
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds96
Heavy Atoms406
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005291.52
LogP ≤ 5118.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine with MolForge

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Related Compounds

6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159967041
6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 88559543
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[4-(4-heptylphenyl)phenyl]phenyl]chrysene-6,12-diamine
CID 88552464
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[4-[4-(4-nonylphenyl)phenyl]phenyl]phenyl]chrysene-6,12-diamine
CID 58421132
2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine
CID 59793136
N-(4-cyclohexylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N,N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-(2-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-(3-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-(4-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-phenyl-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-phenyl-N-(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-phenyl-N-(4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine
CID 159297385
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
6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine
CID 159999611
1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611813
1-N,6-N-bis(4-cyclohexylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158323347
N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine
CID 162045931
6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 158900860

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine (CID 159604169) is 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine is CCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CCCCCC)cc4)cc3)c3cc4c5ccccc5c(N(c5ccc(-c6ccc(CCCCCC)cc6)cc5)c5ccc(-c6ccc(CCCCCC)cc6)cc5)cc4c4ccccc34)cc2)cc1.CCCCCCc1ccc(N(c2ccc(C(C)C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C(C)C)c(C)c4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4cccc5ccccc45)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(C5CCCCC5)cc4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C.
What is the InChIKey of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine?
The InChIKey is MLWBRKJFQVAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H94N2.C64H46N2.C62H58N2.C62H70N2.C58H58N2.C58H62N2/c1-5-9-13-17-25-67-33-41-71(42-34-67)75-49-57-79(58-50-75)91(80-59-51-76(52-60-80)72-43-35-68(36-44-72)26-18-14-10-6-2)89-65-87-84-30-22-24-32-86(84)90(66-88(87)83-29-21-23-31-85(83)89)92(81-61-53-77(54-62-81)73-45-37-69(38-46-73)27-19-15-11-7-3)82-63-55-78(56-64-82)74-47-39-70(40-48-74)28-20-16-12-8-4;1-43-25-33-49(34-26-43)65(51-37-29-47(30-38-51)55-23-11-15-45-13-3-5-17-53(45)55)63-41-61-58-20-8-10-22-60(58)64(42-62(61)57-19-7-9-21-59(57)63)66(50-35-27-44(2)28-36-50)52-39-31-48(32-40-52)56-24-12-16-46-14-4-6-18-54(46)56;1-3-5-7-9-21-45-35-39-49(40-36-45)63(59-33-19-25-47-23-11-13-27-51(47)59)61-43-57-54-30-16-18-32-56(54)62(44-58(57)53-29-15-17-31-55(53)61)64(60-34-20-26-48-24-12-14-28-52(48)60)50-41-37-46(38-42-50)22-10-8-6-4-2;1-9-11-13-15-21-47-27-31-49(32-28-47)63(51-35-37-53(43(3)4)45(7)39-51)61-41-59-56-24-18-20-26-58(56)62(42-60(59)55-23-17-19-25-57(55)61)64(52-36-38-54(44(5)6)46(8)40-52)50-33-29-48(30-34-50)22-16-14-12-10-2;1-39-23-29-49(35-41(39)3)59(47-31-25-45(26-32-47)43-15-7-5-8-16-43)57-37-55-52-20-12-14-22-54(52)58(38-56(55)51-19-11-13-21-53(51)57)60(50-30-24-40(2)42(4)36-50)48-33-27-46(28-34-48)44-17-9-6-10-18-44;1-7-9-11-13-19-45-27-33-47(34-28-45)59(49-31-25-41(3)43(5)37-49)57-39-55-52-22-16-18-24-54(52)58(40-56(55)51-21-15-17-23-53(51)57)60(50-32-26-42(4)44(6)38-50)48-35-29-46(30-36-48)20-14-12-10-8-2/h21-24,29-66H,5-20,25-28H2,1-4H3;3-42H,1-2H3;11-20,23-44H,3-10,21-22H2,1-2H3;17-20,23-44H,9-16,21-22H2,1-8H3;11-14,19-38,43-44H,5-10,15-18H2,1-4H3;15-18,21-40H,7-14,19-20H2,1-6H3.
What are the key properties of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine?
6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine has a molecular weight of 5291.52 g/mol, XLogP of 118.40, 96 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(4-cyclohexylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(3-methyl-4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis[4-(4-hexylphenyl)phenyl]chrysene-6,12-diamine is sourced from PubChem (CID 159604169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).