6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine

C198H170N6 — CID 160624932

IUPAC6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(C(C)(C)C)ccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)C)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2C)c2cc3c4ccccc4c(N(c4ccc(C)cc4C)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4C)cc3c3ccccc23)c(C)c1
InChIInChI=1S/C72H58N2.C66H62N2.C60H50N2/c1-47-25-37-67(49(3)41-47)73(69-39-35-59(43-51(69)5)57-31-27-55(28-32-57)53-17-9-7-10-18-53)71-45-65-62-22-14-16-24-64(62)72(46-66(65)61-21-13-15-23-63(61)71)74(68-38-26-48(2)42-50(68)4)70-40-36-60(44-52(70)6)58-33-29-56(30-34-58)54-19-11-8-12-20-54;1-64(2,3)49-28-37-54(38-29-49)67(52-33-24-47(25-34-52)45-18-12-10-13-19-45)62-44-61-59-42-51(66(7,8)9)32-41-58(59)63(43-60(61)56-22-16-17-23-57(56)62)68(55-39-30-50(31-40-55)65(4,5)6)53-35-26-48(27-36-53)46-20-14-11-15-21-46;1-41(2)43-23-31-49(32-24-43)61(51-35-27-47(28-36-51)45-15-7-5-8-16-45)59-39-57-54-20-12-14-22-56(54)60(40-58(57)53-19-11-13-21-55(53)59)62(50-33-25-44(26-34-50)42(3)4)52-37-29-48(30-38-52)46-17-9-6-10-18-46/h7-46H,1-6H3;10-44H,1-9H3;5-42H,1-4H3
InChIKeyRHEDQHPGSWGORY-UHFFFAOYSA-N
MW2633.58 g/mol
LogP57.58
Rot. Bonds28

About 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine

6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine (PubChem CID 160624932) has the molecular formula C198H170N6 and a molecular weight of 2633.58 g/mol. Its IUPAC name is 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
PubChem CID160624932
Molecular FormulaC198H170N6
Molecular Weight2633.58 g/mol
Exact Mass2631.35
IUPAC Name6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(C(C)(C)C)ccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)C)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2C)c2cc3c4ccccc4c(N(c4ccc(C)cc4C)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4C)cc3c3ccccc23)c(C)c1
InChIInChI=1S/C72H58N2.C66H62N2.C60H50N2/c1-47-25-37-67(49(3)41-47)73(69-39-35-59(43-51(69)5)57-31-27-55(28-32-57)53-17-9-7-10-18-53)71-45-65-62-22-14-16-24-64(62)72(46-66(65)61-21-13-15-23-63(61)71)74(68-38-26-48(2)42-50(68)4)70-40-36-60(44-52(70)6)58-33-29-56(30-34-58)54-19-11-8-12-20-54;1-64(2,3)49-28-37-54(38-29-49)67(52-33-24-47(25-34-52)45-18-12-10-13-19-45)62-44-61-59-42-51(66(7,8)9)32-41-58(59)63(43-60(61)56-22-16-17-23-57(56)62)68(55-39-30-50(31-40-55)65(4,5)6)53-35-26-48(27-36-53)46-20-14-11-15-21-46;1-41(2)43-23-31-49(32-24-43)61(51-35-27-47(28-36-51)45-15-7-5-8-16-45)59-39-57-54-20-12-14-22-56(54)60(40-58(57)53-19-11-13-21-55(53)59)62(50-33-25-44(26-34-50)42(3)4)52-37-29-48(30-38-52)46-17-9-6-10-18-46/h7-46H,1-6H3;10-44H,1-9H3;5-42H,1-4H3
InChIKeyRHEDQHPGSWGORY-UHFFFAOYSA-N
XLogP57.58
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002633.58
LogP ≤ 557.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine with MolForge

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Related Compounds

6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[2-(4-propan-2-ylphenyl)phenyl]phenyl]chrysene-6,12-diamine
CID 140561610
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-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine
CID 59133377
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]chrysene-6,12-diamine
CID 58142219
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
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-(4-phenylphenyl)naphthalen-1-yl]chrysene-6,12-diamine
CID 58421128
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
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
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
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 159947296
6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine
CID 157471801

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine (CID 160624932) is 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(C(C)(C)C)ccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)C)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2C)c2cc3c4ccccc4c(N(c4ccc(C)cc4C)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4C)cc3c3ccccc23)c(C)c1.
What is the InChIKey of 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
The InChIKey is RHEDQHPGSWGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N2.C66H62N2.C60H50N2/c1-47-25-37-67(49(3)41-47)73(69-39-35-59(43-51(69)5)57-31-27-55(28-32-57)53-17-9-7-10-18-53)71-45-65-62-22-14-16-24-64(62)72(46-66(65)61-21-13-15-23-63(61)71)74(68-38-26-48(2)42-50(68)4)70-40-36-60(44-52(70)6)58-33-29-56(30-34-58)54-19-11-8-12-20-54;1-64(2,3)49-28-37-54(38-29-49)67(52-33-24-47(25-34-52)45-18-12-10-13-19-45)62-44-61-59-42-51(66(7,8)9)32-41-58(59)63(43-60(61)56-22-16-17-23-57(56)62)68(55-39-30-50(31-40-55)65(4,5)6)53-35-26-48(27-36-53)46-20-14-11-15-21-46;1-41(2)43-23-31-49(32-24-43)61(51-35-27-47(28-36-51)45-15-7-5-8-16-45)59-39-57-54-20-12-14-22-56(54)60(40-58(57)53-19-11-13-21-55(53)59)62(50-33-25-44(26-34-50)42(3)4)52-37-29-48(30-38-52)46-17-9-6-10-18-46/h7-46H,1-6H3;10-44H,1-9H3;5-42H,1-4H3.
What are the key properties of 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine has a molecular weight of 2633.58 g/mol, XLogP of 57.58, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine is sourced from PubChem (CID 160624932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).