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

C207H194N8 — CID 158150656

IUPAC2-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
SMILESCC(C)(C)c1ccc2c(c1)c(N(c1ccccc1)c1ccc3c(c1)CCCC3)cc1c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21.CC(C)c1ccc(N(c2ccccc2)c2cc3c4ccc(C(C)(C)C)cc4c(N(c4ccccc4)c4ccc(C(C)C)cc4)cc3c3ccccc23)cc1.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.Cc1cccc(N(c2ccccc2)c2cc3c4ccc(C)cc4c(N(c4ccccc4)c4cccc(C)c4)cc3c3ccccc23)c1
InChIInChI=1S/C56H58N2.C54H50N2.C52H50N2.C45H36N2/c1-33(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;1-54(2,3)41-28-31-47-50-35-52(55(42-20-6-4-7-21-42)44-29-26-37-16-10-12-18-39(37)32-44)48-25-15-14-24-46(48)49(50)36-53(51(47)34-41)56(43-22-8-5-9-23-43)45-30-27-38-17-11-13-19-40(38)33-45;1-35(2)37-22-27-42(28-23-37)53(40-16-10-8-11-17-40)50-33-48-45-31-26-39(52(5,6)7)32-49(45)51(34-47(48)44-20-14-15-21-46(44)50)54(41-18-12-9-13-19-41)43-29-24-38(25-30-43)36(3)4;1-31-14-12-20-36(26-31)46(34-16-6-4-7-17-34)44-29-42-39-25-24-33(3)28-43(39)45(30-41(42)38-22-10-11-23-40(38)44)47(35-18-8-5-9-19-35)37-21-13-15-32(2)27-37/h13-34H,1-12H3;4-9,14-15,20-36H,10-13,16-19H2,1-3H3;8-36H,1-7H3;4-30H,1-3H3
InChIKeyFVBJCJCHVROWDZ-UHFFFAOYSA-N
MW2793.88 g/mol
LogP60.58
Rot. Bonds28

About 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

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 (PubChem CID 158150656) has the molecular formula C207H194N8 and a molecular weight of 2793.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158150656
Molecular FormulaC207H194N8
Molecular Weight2793.88 g/mol
Exact Mass2791.54
IUPAC Name2-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
SMILESCC(C)(C)c1ccc2c(c1)c(N(c1ccccc1)c1ccc3c(c1)CCCC3)cc1c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21.CC(C)c1ccc(N(c2ccccc2)c2cc3c4ccc(C(C)(C)C)cc4c(N(c4ccccc4)c4ccc(C(C)C)cc4)cc3c3ccccc23)cc1.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.Cc1cccc(N(c2ccccc2)c2cc3c4ccc(C)cc4c(N(c4ccccc4)c4cccc(C)c4)cc3c3ccccc23)c1
InChIInChI=1S/C56H58N2.C54H50N2.C52H50N2.C45H36N2/c1-33(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;1-54(2,3)41-28-31-47-50-35-52(55(42-20-6-4-7-21-42)44-29-26-37-16-10-12-18-39(37)32-44)48-25-15-14-24-46(48)49(50)36-53(51(47)34-41)56(43-22-8-5-9-23-43)45-30-27-38-17-11-13-19-40(38)33-45;1-35(2)37-22-27-42(28-23-37)53(40-16-10-8-11-17-40)50-33-48-45-31-26-39(52(5,6)7)32-49(45)51(34-47(48)44-20-14-15-21-46(44)50)54(41-18-12-9-13-19-41)43-29-24-38(25-30-43)36(3)4;1-31-14-12-20-36(26-31)46(34-16-6-4-7-17-34)44-29-42-39-25-24-33(3)28-43(39)45(30-41(42)38-22-10-11-23-40(38)44)47(35-18-8-5-9-19-35)37-21-13-15-32(2)27-37/h13-34H,1-12H3;4-9,14-15,20-36H,10-13,16-19H2,1-3H3;8-36H,1-7H3;4-30H,1-3H3
InChIKeyFVBJCJCHVROWDZ-UHFFFAOYSA-N
XLogP60.58
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms215
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002793.88
LogP ≤ 560.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c(N(c1ccccc1)c1ccc3c(c1)CCCC3)cc1c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21.CC(C)c1ccc(N(c2ccccc2)c2cc3c4ccc(C(C)(C)C)cc4c(N(c4ccccc4)c4ccc(C(C)C)cc4)cc3c3ccccc23)cc1.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.Cc1cccc(N(c2ccccc2)c2cc3c4ccc(C)cc4c(N(c4ccccc4)c4cccc(C)c4)cc3c3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is FVBJCJCHVROWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58N2.C54H50N2.C52H50N2.C45H36N2/c1-33(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;1-54(2,3)41-28-31-47-50-35-52(55(42-20-6-4-7-21-42)44-29-26-37-16-10-12-18-39(37)32-44)48-25-15-14-24-46(48)49(50)36-53(51(47)34-41)56(43-22-8-5-9-23-43)45-30-27-38-17-11-13-19-40(38)33-45;1-35(2)37-22-27-42(28-23-37)53(40-16-10-8-11-17-40)50-33-48-45-31-26-39(52(5,6)7)32-49(45)51(34-47(48)44-20-14-15-21-46(44)50)54(41-18-12-9-13-19-41)43-29-24-38(25-30-43)36(3)4;1-31-14-12-20-36(26-31)46(34-16-6-4-7-17-34)44-29-42-39-25-24-33(3)28-43(39)45(30-41(42)38-22-10-11-23-40(38)44)47(35-18-8-5-9-19-35)37-21-13-15-32(2)27-37/h13-34H,1-12H3;4-9,14-15,20-36H,10-13,16-19H2,1-3H3;8-36H,1-7H3;4-30H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2793.88 g/mol, XLogP of 60.58, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158150656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).