1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

C230H204N6 — CID 159406500

IUPAC1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1ccc(-c2ccccc2)cc1N(c1c(C)cccc1-c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1cc(-c2ccccc2)ccc1-c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4-c4ccccc4)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1cccc(C2CCCCC2)c1)c1cc(C(C)C)c2ccc3c(N(c4cccc(C5CCCCC5)c4)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43
InChIInChI=1S/C84H68N2.C74H64N2.C72H72N2/c1-55(2)75-53-79(85(83-57(5)27-25-41-69(83)63-37-21-11-22-38-63)77-51-65(59-29-13-7-14-30-59)43-45-67(77)61-33-17-9-18-34-61)73-50-48-72-76(56(3)4)54-80(74-49-47-71(75)81(73)82(72)74)86(84-58(6)28-26-42-70(84)64-39-23-12-24-40-64)78-52-66(60-31-15-8-16-32-60)44-46-68(78)62-35-19-10-20-36-62;1-47(2)65-45-69(75(67-43-57(37-35-49(67)5)53-25-13-9-14-26-53)73-51(7)23-21-33-59(73)55-29-17-11-18-30-55)63-42-40-62-66(48(3)4)46-70(64-41-39-61(65)71(63)72(62)64)76(68-44-58(38-36-50(68)6)54-27-15-10-16-28-54)74-52(8)24-22-34-60(74)56-31-19-12-20-32-56;1-47(2)65-45-67(73(57-35-21-33-55(43-57)51-25-11-7-12-26-51)71-49(5)23-19-37-59(71)53-29-15-9-16-30-53)63-42-40-62-66(48(3)4)46-68(64-41-39-61(65)69(63)70(62)64)74(58-36-22-34-56(44-58)52-27-13-8-14-28-52)72-50(6)24-20-38-60(72)54-31-17-10-18-32-54/h7-56H,1-6H3;9-48H,1-8H3;9-10,15-24,29-48,51-52H,7-8,11-14,25-28H2,1-6H3
InChIKeyLOAGIISQKMNTBW-UHFFFAOYSA-N
MW3052.20 g/mol
LogP67.88
Rot. Bonds38

About 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 159406500) has the molecular formula C230H204N6 and a molecular weight of 3052.20 g/mol. Its IUPAC name is 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID159406500
Molecular FormulaC230H204N6
Molecular Weight3052.20 g/mol
Exact Mass3049.61
IUPAC Name1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1ccc(-c2ccccc2)cc1N(c1c(C)cccc1-c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1cc(-c2ccccc2)ccc1-c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4-c4ccccc4)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1cccc(C2CCCCC2)c1)c1cc(C(C)C)c2ccc3c(N(c4cccc(C5CCCCC5)c4)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43
InChIInChI=1S/C84H68N2.C74H64N2.C72H72N2/c1-55(2)75-53-79(85(83-57(5)27-25-41-69(83)63-37-21-11-22-38-63)77-51-65(59-29-13-7-14-30-59)43-45-67(77)61-33-17-9-18-34-61)73-50-48-72-76(56(3)4)54-80(74-49-47-71(75)81(73)82(72)74)86(84-58(6)28-26-42-70(84)64-39-23-12-24-40-64)78-52-66(60-31-15-8-16-32-60)44-46-68(78)62-35-19-10-20-36-62;1-47(2)65-45-69(75(67-43-57(37-35-49(67)5)53-25-13-9-14-26-53)73-51(7)23-21-33-59(73)55-29-17-11-18-30-55)63-42-40-62-66(48(3)4)46-70(64-41-39-61(65)71(63)72(62)64)76(68-44-58(38-36-50(68)6)54-27-15-10-16-28-54)74-52(8)24-22-34-60(74)56-31-19-12-20-32-56;1-47(2)65-45-67(73(57-35-21-33-55(43-57)51-25-11-7-12-26-51)71-49(5)23-19-37-59(71)53-29-15-9-16-30-53)63-42-40-62-66(48(3)4)46-68(64-41-39-61(65)69(63)70(62)64)74(58-36-22-34-56(44-58)52-27-13-8-14-28-52)72-50(6)24-20-38-60(72)54-31-17-10-18-32-54/h7-56H,1-6H3;9-48H,1-8H3;9-10,15-24,29-48,51-52H,7-8,11-14,25-28H2,1-6H3
InChIKeyLOAGIISQKMNTBW-UHFFFAOYSA-N
XLogP67.88
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds38
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003052.20
LogP ≤ 567.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(3-cyclopentylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine
CID 160775133
1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062677
1-N,6-N-bis(2,6-dimethyl-3-phenylphenyl)-1-N,6-N-bis(2,5-diphenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062727
1-N,3-N-bis(2-methyl-6-phenylphenyl)-1-N,3-N-diphenyl-6,8-di(propan-2-yl)pyrene-1,3-diamine
CID 129063005
1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062703
1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062715
7-tert-butyl-1-N,3-N-bis(3-cyclohexylphenyl)-1-N,3-N-bis(2,6-dimethyl-3-phenylphenyl)pyrene-1,3-diamine
CID 129062898
1-N-[4-[3-[2-(N-[6-(2,6-dimethyl-N-(2-methyl-6-phenylphenyl)anilino)-3,8-di(propan-2-yl)pyren-1-yl]-2,6-dimethylanilino)-3-methylphenyl]phenyl]-2-methyl-6-phenylphenyl]-1-N,6-N-bis(2,5-dimethylphenyl)-6-N-(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146507684
1-N,6-N-bis(2,6-dimethyl-3-phenylphenyl)-3,8-dimethyl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(2-methyl-3-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(2-methyl-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159246835
4-(N-[6-(4-cyano-N-(2-methyl-5-phenylphenyl)-3-phenylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-2-methyl-5-phenylanilino)-2-phenylbenzonitrile
CID 129062801
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2,7-diphenylnaphthalen-1-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146180884
1-N,6-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062772

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 159406500) is 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is Cc1ccc(-c2ccccc2)cc1N(c1c(C)cccc1-c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1cc(-c2ccccc2)ccc1-c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4-c4ccccc4)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1cccc(C2CCCCC2)c1)c1cc(C(C)C)c2ccc3c(N(c4cccc(C5CCCCC5)c4)c4c(C)cccc4-c4ccccc4)cc(C(C)C)c4ccc1c2c43.
What is the InChIKey of 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is LOAGIISQKMNTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H68N2.C74H64N2.C72H72N2/c1-55(2)75-53-79(85(83-57(5)27-25-41-69(83)63-37-21-11-22-38-63)77-51-65(59-29-13-7-14-30-59)43-45-67(77)61-33-17-9-18-34-61)73-50-48-72-76(56(3)4)54-80(74-49-47-71(75)81(73)82(72)74)86(84-58(6)28-26-42-70(84)64-39-23-12-24-40-64)78-52-66(60-31-15-8-16-32-60)44-46-68(78)62-35-19-10-20-36-62;1-47(2)65-45-69(75(67-43-57(37-35-49(67)5)53-25-13-9-14-26-53)73-51(7)23-21-33-59(73)55-29-17-11-18-30-55)63-42-40-62-66(48(3)4)46-70(64-41-39-61(65)71(63)72(62)64)76(68-44-58(38-36-50(68)6)54-27-15-10-16-28-54)74-52(8)24-22-34-60(74)56-31-19-12-20-32-56;1-47(2)65-45-67(73(57-35-21-33-55(43-57)51-25-11-7-12-26-51)71-49(5)23-19-37-59(71)53-29-15-9-16-30-53)63-42-40-62-66(48(3)4)46-68(64-41-39-61(65)69(63)70(62)64)74(58-36-22-34-56(44-58)52-27-13-8-14-28-52)72-50(6)24-20-38-60(72)54-31-17-10-18-32-54/h7-56H,1-6H3;9-48H,1-8H3;9-10,15-24,29-48,51-52H,7-8,11-14,25-28H2,1-6H3.
What are the key properties of 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 3052.20 g/mol, XLogP of 67.88, 38 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 159406500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).