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

C342H330N10 — CID 159967041

IUPAC6-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
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(-c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C72H58N2.C72H74N2.C66H62N2.C66H74N2.C66H62N2/c1-71(2,55-25-13-7-14-26-55)57-37-45-61(46-38-57)73(59-41-33-53(34-42-59)51-21-9-5-10-22-51)69-49-67-64-30-18-20-32-66(64)70(50-68(67)63-29-17-19-31-65(63)69)74(60-43-35-54(36-44-60)52-23-11-6-12-24-52)62-47-39-58(40-48-62)72(3,4)56-27-15-8-16-28-56;1-7-9-11-15-25-53-35-43-59(44-36-53)73(61-47-39-57(40-48-61)71(3,4)55-27-17-13-18-28-55)69-51-67-64-32-22-24-34-66(64)70(52-68(67)63-31-21-23-33-65(63)69)74(60-45-37-54(38-46-60)26-16-12-10-8-2)62-49-41-58(42-50-62)72(5,6)56-29-19-14-20-30-56;1-45(2)47-27-35-53(36-28-47)67(55-39-31-51(32-40-55)65(5,6)49-19-11-9-12-20-49)63-43-61-58-24-16-18-26-60(58)64(44-62(61)57-23-15-17-25-59(57)63)68(54-37-29-48(30-38-54)46(3)4)56-41-33-52(34-42-56)66(7,8)50-21-13-10-14-22-50;2*1-3-5-7-11-21-49-31-39-55(40-32-49)67(57-43-35-53(36-44-57)51-23-13-9-14-24-51)65-47-63-60-28-18-20-30-62(60)66(48-64(63)59-27-17-19-29-61(59)65)68(56-41-33-50(34-42-56)22-12-8-6-4-2)58-45-37-54(38-46-58)52-25-15-10-16-26-52/h5-50H,1-4H3;13-14,17-24,27-52H,7-12,15-16,25-26H2,1-6H3;9-46H,1-8H3;17-20,27-48,51-52H,3-16,21-26H2,1-2H3;9-10,13-20,23-48H,3-8,11-12,21-22H2,1-2H3
InChIKeyOEBHTTYQRIFULY-UHFFFAOYSA-N
MW4580.47 g/mol
LogP100.13
Rot. Bonds80

About 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

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 (PubChem CID 159967041) has the molecular formula C342H330N10 and a molecular weight of 4580.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159967041
Molecular FormulaC342H330N10
Molecular Weight4580.47 g/mol
Exact Mass4576.61
IUPAC Name6-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
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(-c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C72H58N2.C72H74N2.C66H62N2.C66H74N2.C66H62N2/c1-71(2,55-25-13-7-14-26-55)57-37-45-61(46-38-57)73(59-41-33-53(34-42-59)51-21-9-5-10-22-51)69-49-67-64-30-18-20-32-66(64)70(50-68(67)63-29-17-19-31-65(63)69)74(60-43-35-54(36-44-60)52-23-11-6-12-24-52)62-47-39-58(40-48-62)72(3,4)56-27-15-8-16-28-56;1-7-9-11-15-25-53-35-43-59(44-36-53)73(61-47-39-57(40-48-61)71(3,4)55-27-17-13-18-28-55)69-51-67-64-32-22-24-34-66(64)70(52-68(67)63-31-21-23-33-65(63)69)74(60-45-37-54(38-46-60)26-16-12-10-8-2)62-49-41-58(42-50-62)72(5,6)56-29-19-14-20-30-56;1-45(2)47-27-35-53(36-28-47)67(55-39-31-51(32-40-55)65(5,6)49-19-11-9-12-20-49)63-43-61-58-24-16-18-26-60(58)64(44-62(61)57-23-15-17-25-59(57)63)68(54-37-29-48(30-38-54)46(3)4)56-41-33-52(34-42-56)66(7,8)50-21-13-10-14-22-50;2*1-3-5-7-11-21-49-31-39-55(40-32-49)67(57-43-35-53(36-44-57)51-23-13-9-14-24-51)65-47-63-60-28-18-20-30-62(60)66(48-64(63)59-27-17-19-29-61(59)65)68(56-41-33-50(34-42-56)22-12-8-6-4-2)58-45-37-54(38-46-58)52-25-15-10-16-26-52/h5-50H,1-4H3;13-14,17-24,27-52H,7-12,15-16,25-26H2,1-6H3;9-46H,1-8H3;17-20,27-48,51-52H,3-16,21-26H2,1-2H3;9-10,13-20,23-48H,3-8,11-12,21-22H2,1-2H3
InChIKeyOEBHTTYQRIFULY-UHFFFAOYSA-N
XLogP100.13
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds80
Heavy Atoms352
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004580.47
LogP ≤ 5100.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 88559543
CID 160713603
CID 160713603
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
6-N,12-N-bis(4-cyclohexylphenyl)-2,8-dimethyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2,8-di(propan-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;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-tert-butyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159540355
N-(4-cyclohexylphenyl)-N-(4-propan-2-ylphenyl)benzo[c]phenanthren-5-amine
CID 167182127
4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
CID 164800977
pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane
CID 158005852
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
9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 157278860
13-N,28-N-bis(4-tert-butylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(4-cyclohexylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N-(4-tert-butylphenyl)-13-N,28-N,28-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,13-N,28-N,28-N-tetrakis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 167630028
6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-3,9-dicyclohexylchrysene-6,12-diamine
CID 59793145
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(-c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)cc3c3ccccc23)cc1.CCCCCCc1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(CCCCCC)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is OEBHTTYQRIFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N2.C72H74N2.C66H62N2.C66H74N2.C66H62N2/c1-71(2,55-25-13-7-14-26-55)57-37-45-61(46-38-57)73(59-41-33-53(34-42-59)51-21-9-5-10-22-51)69-49-67-64-30-18-20-32-66(64)70(50-68(67)63-29-17-19-31-65(63)69)74(60-43-35-54(36-44-60)52-23-11-6-12-24-52)62-47-39-58(40-48-62)72(3,4)56-27-15-8-16-28-56;1-7-9-11-15-25-53-35-43-59(44-36-53)73(61-47-39-57(40-48-61)71(3,4)55-27-17-13-18-28-55)69-51-67-64-32-22-24-34-66(64)70(52-68(67)63-31-21-23-33-65(63)69)74(60-45-37-54(38-46-60)26-16-12-10-8-2)62-49-41-58(42-50-62)72(5,6)56-29-19-14-20-30-56;1-45(2)47-27-35-53(36-28-47)67(55-39-31-51(32-40-55)65(5,6)49-19-11-9-12-20-49)63-43-61-58-24-16-18-26-60(58)64(44-62(61)57-23-15-17-25-59(57)63)68(54-37-29-48(30-38-54)46(3)4)56-41-33-52(34-42-56)66(7,8)50-21-13-10-14-22-50;2*1-3-5-7-11-21-49-31-39-55(40-32-49)67(57-43-35-53(36-44-57)51-23-13-9-14-24-51)65-47-63-60-28-18-20-30-62(60)66(48-64(63)59-27-17-19-29-61(59)65)68(56-41-33-50(34-42-56)22-12-8-6-4-2)58-45-37-54(38-46-58)52-25-15-10-16-26-52/h5-50H,1-4H3;13-14,17-24,27-52H,7-12,15-16,25-26H2,1-6H3;9-46H,1-8H3;17-20,27-48,51-52H,3-16,21-26H2,1-2H3;9-10,13-20,23-48H,3-8,11-12,21-22H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 4580.47 g/mol, XLogP of 100.13, 80 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159967041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).