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

C226H180N8 — CID 159246835

IUPAC1-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
SMILESCc1c(-c2ccccc2)cccc1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4cccc(-c5ccccc5)c4C)cc(C)c4ccc1c2c43.Cc1ccc(-c2ccccc2)c(C)c1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4c(C)ccc(-c5ccccc5)c4C)cc(C)c4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4cc(-c5ccccc5)ccc4C)cc(C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4c(C)cccc4-c4ccccc4)cc(C)c4ccc1c2c43
InChIInChI=1S/C58H48N2.3C56H44N2/c1-37-27-29-49(43-19-11-7-12-20-43)41(5)57(37)59(45-23-15-9-16-24-45)53-35-39(3)47-32-34-52-54(36-40(4)48-31-33-51(53)55(47)56(48)52)60(46-25-17-10-18-26-46)58-38(2)28-30-50(42(58)6)44-21-13-8-14-22-44;1-37-19-17-29-47(41-21-9-5-10-22-41)55(37)57(43-25-13-7-14-26-43)51-35-39(3)45-32-34-50-52(36-40(4)46-31-33-49(51)53(45)54(46)50)58(44-27-15-8-16-28-44)56-38(2)20-18-30-48(56)42-23-11-6-12-24-42;1-37-35-53(57(43-23-13-7-14-24-43)51-29-17-27-47(39(51)3)41-19-9-5-10-20-41)49-34-32-46-38(2)36-54(50-33-31-45(37)55(49)56(46)50)58(44-25-15-8-16-26-44)52-30-18-28-48(40(52)4)42-21-11-6-12-22-42;1-37-25-27-43(41-17-9-5-10-18-41)35-51(37)57(45-21-13-7-14-22-45)53-33-39(3)47-30-32-50-54(34-40(4)48-29-31-49(53)55(47)56(48)50)58(46-23-15-8-16-24-46)52-36-44(28-26-38(52)2)42-19-11-6-12-20-42/h7-36H,1-6H3;3*5-36H,1-4H3
InChIKeyKUUBGEVSOHSYTR-UHFFFAOYSA-N
MW3007.98 g/mol
LogP64.98
Rot. Bonds32

About 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

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 (PubChem CID 159246835) has the molecular formula C226H180N8 and a molecular weight of 3007.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159246835
Molecular FormulaC226H180N8
Molecular Weight3007.98 g/mol
Exact Mass3005.43
IUPAC Name1-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
SMILESCc1c(-c2ccccc2)cccc1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4cccc(-c5ccccc5)c4C)cc(C)c4ccc1c2c43.Cc1ccc(-c2ccccc2)c(C)c1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4c(C)ccc(-c5ccccc5)c4C)cc(C)c4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4cc(-c5ccccc5)ccc4C)cc(C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4c(C)cccc4-c4ccccc4)cc(C)c4ccc1c2c43
InChIInChI=1S/C58H48N2.3C56H44N2/c1-37-27-29-49(43-19-11-7-12-20-43)41(5)57(37)59(45-23-15-9-16-24-45)53-35-39(3)47-32-34-52-54(36-40(4)48-31-33-51(53)55(47)56(48)52)60(46-25-17-10-18-26-46)58-38(2)28-30-50(42(58)6)44-21-13-8-14-22-44;1-37-19-17-29-47(41-21-9-5-10-22-41)55(37)57(43-25-13-7-14-26-43)51-35-39(3)45-32-34-50-52(36-40(4)46-31-33-49(51)53(45)54(46)50)58(44-27-15-8-16-28-44)56-38(2)20-18-30-48(56)42-23-11-6-12-24-42;1-37-35-53(57(43-23-13-7-14-24-43)51-29-17-27-47(39(51)3)41-19-9-5-10-20-41)49-34-32-46-38(2)36-54(50-33-31-45(37)55(49)56(46)50)58(44-25-15-8-16-26-44)52-30-18-28-48(40(52)4)42-21-11-6-12-22-42;1-37-25-27-43(41-17-9-5-10-18-41)35-51(37)57(45-21-13-7-14-22-45)53-33-39(3)47-30-32-50-54(34-40(4)48-29-31-49(53)55(47)56(48)50)58(46-23-15-8-16-24-46)52-36-44(28-26-38(52)2)42-19-11-6-12-20-42/h7-36H,1-6H3;3*5-36H,1-4H3
InChIKeyKUUBGEVSOHSYTR-UHFFFAOYSA-N
XLogP64.98
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms234
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003007.98
LogP ≤ 564.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3,8-dimethyl-1-N,6-N-bis(2-methyl-3,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062664
1-N,3-N-bis(2-methyl-3-phenylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 129062810
7-tert-butyl-1-N,3-N-bis(2,6-dimethyl-3-phenylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 129062877
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(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
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983
1-N,6-N-bis(2-methyl-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062572
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,8-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,8-N-diphenylpyrene-1,8-diamine
CID 129062966
1-N,6-N-bis(2,6-dimethyl-3-phenylphenyl)-1-N,6-N-bis(3-ethylphenyl)pyrene-1,6-diamine
CID 129062585
7-tert-butyl-1-N,3-N-bis(2,6-dimethyl-3-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)pyrene-1,3-diamine
CID 129062879
3,8-dimethyl-N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516665

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccccc2)cccc1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4cccc(-c5ccccc5)c4C)cc(C)c4ccc1c2c43.Cc1ccc(-c2ccccc2)c(C)c1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4c(C)ccc(-c5ccccc5)c4C)cc(C)c4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4cc(-c5ccccc5)ccc4C)cc(C)c4ccc1c2c43.Cc1cccc(-c2ccccc2)c1N(c1ccccc1)c1cc(C)c2ccc3c(N(c4ccccc4)c4c(C)cccc4-c4ccccc4)cc(C)c4ccc1c2c43.
What is the InChIKey of 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?
The InChIKey is KUUBGEVSOHSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2.3C56H44N2/c1-37-27-29-49(43-19-11-7-12-20-43)41(5)57(37)59(45-23-15-9-16-24-45)53-35-39(3)47-32-34-52-54(36-40(4)48-31-33-51(53)55(47)56(48)52)60(46-25-17-10-18-26-46)58-38(2)28-30-50(42(58)6)44-21-13-8-14-22-44;1-37-19-17-29-47(41-21-9-5-10-22-41)55(37)57(43-25-13-7-14-26-43)51-35-39(3)45-32-34-50-52(36-40(4)46-31-33-49(51)53(45)54(46)50)58(44-27-15-8-16-28-44)56-38(2)20-18-30-48(56)42-23-11-6-12-24-42;1-37-35-53(57(43-23-13-7-14-24-43)51-29-17-27-47(39(51)3)41-19-9-5-10-20-41)49-34-32-46-38(2)36-54(50-33-31-45(37)55(49)56(46)50)58(44-25-15-8-16-26-44)52-30-18-28-48(40(52)4)42-21-11-6-12-22-42;1-37-25-27-43(41-17-9-5-10-18-41)35-51(37)57(45-21-13-7-14-22-45)53-33-39(3)47-30-32-50-54(34-40(4)48-29-31-49(53)55(47)56(48)50)58(46-23-15-8-16-24-46)52-36-44(28-26-38(52)2)42-19-11-6-12-20-42/h7-36H,1-6H3;3*5-36H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3007.98 g/mol, XLogP of 64.98, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159246835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).