1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine

C270H204N8 — CID 162041133

IUPAC1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4C)ccc4ccc1c2c43.Cc1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2C)c2ccc3ccc4c(N(c5ccc(C)cc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5C)ccc5ccc2c3c54)cc1.Cc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2C)c2ccc3ccc4c(N(c5cccc(C)c5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5C)ccc5ccc2c3c54)c1.Cc1ccccc1N(c1cc(-c2ccccc2)cc(-c2ccccc2)c1C)c1ccc2ccc3c(N(c4ccccc4C)c4cc(-c5ccccc5)cc(-c5ccccc5)c4C)ccc4ccc1c2c43
InChIInChI=1S/3C68H52N2.C66H48N2/c1-45-21-17-19-31-61(45)69(65-43-55(49-23-9-5-10-24-49)41-59(47(65)3)51-27-13-7-14-28-51)63-39-35-53-34-38-58-64(40-36-54-33-37-57(63)67(53)68(54)58)70(62-32-20-18-22-46(62)2)66-44-56(50-25-11-6-12-26-50)42-60(48(66)4)52-29-15-8-16-30-52;1-45-19-17-29-57(39-45)69(65-43-55(49-21-9-5-10-22-49)41-61(47(65)3)51-25-13-7-14-26-51)63-37-33-53-32-36-60-64(38-34-54-31-35-59(63)67(53)68(54)60)70(58-30-18-20-46(2)40-58)66-44-56(50-23-11-6-12-24-50)42-62(48(66)4)52-27-15-8-16-28-52;1-45-25-33-57(34-26-45)69(65-43-55(49-17-9-5-10-18-49)41-61(47(65)3)51-21-13-7-14-22-51)63-39-31-53-30-38-60-64(40-32-54-29-37-59(63)67(53)68(54)60)70(58-35-27-46(2)28-36-58)66-44-56(50-19-11-6-12-20-50)42-62(48(66)4)52-23-15-8-16-24-52;1-45-59(49-25-13-5-14-26-49)41-53(47-21-9-3-10-22-47)43-63(45)67(55-29-17-7-18-30-55)61-39-35-51-34-38-58-62(40-36-52-33-37-57(61)65(51)66(52)58)68(56-31-19-8-20-32-56)64-44-54(48-23-11-4-12-24-48)42-60(46(64)2)50-27-15-6-16-28-50/h3*5-44H,1-4H3;3-44H,1-2H3
InChIKeyYXHGBAWFMXZPRH-UHFFFAOYSA-N
MW3560.66 g/mol
LogP77.08
Rot. Bonds40

About 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine

1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 162041133) has the molecular formula C270H204N8 and a molecular weight of 3560.66 g/mol. Its IUPAC name is 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
PubChem CID162041133
Molecular FormulaC270H204N8
Molecular Weight3560.66 g/mol
Exact Mass3557.62
IUPAC Name1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4C)ccc4ccc1c2c43.Cc1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2C)c2ccc3ccc4c(N(c5ccc(C)cc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5C)ccc5ccc2c3c54)cc1.Cc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2C)c2ccc3ccc4c(N(c5cccc(C)c5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5C)ccc5ccc2c3c54)c1.Cc1ccccc1N(c1cc(-c2ccccc2)cc(-c2ccccc2)c1C)c1ccc2ccc3c(N(c4ccccc4C)c4cc(-c5ccccc5)cc(-c5ccccc5)c4C)ccc4ccc1c2c43
InChIInChI=1S/3C68H52N2.C66H48N2/c1-45-21-17-19-31-61(45)69(65-43-55(49-23-9-5-10-24-49)41-59(47(65)3)51-27-13-7-14-28-51)63-39-35-53-34-38-58-64(40-36-54-33-37-57(63)67(53)68(54)58)70(62-32-20-18-22-46(62)2)66-44-56(50-25-11-6-12-26-50)42-60(48(66)4)52-29-15-8-16-30-52;1-45-19-17-29-57(39-45)69(65-43-55(49-21-9-5-10-22-49)41-61(47(65)3)51-25-13-7-14-26-51)63-37-33-53-32-36-60-64(38-34-54-31-35-59(63)67(53)68(54)60)70(58-30-18-20-46(2)40-58)66-44-56(50-23-11-6-12-24-50)42-62(48(66)4)52-27-15-8-16-28-52;1-45-25-33-57(34-26-45)69(65-43-55(49-17-9-5-10-18-49)41-61(47(65)3)51-21-13-7-14-22-51)63-39-31-53-30-38-60-64(40-32-54-29-37-59(63)67(53)68(54)60)70(58-35-27-46(2)28-36-58)66-44-56(50-19-11-6-12-20-50)42-62(48(66)4)52-23-15-8-16-24-52;1-45-59(49-25-13-5-14-26-49)41-53(47-21-9-3-10-22-47)43-63(45)67(55-29-17-7-18-30-55)61-39-35-51-34-38-58-62(40-36-52-33-37-57(61)65(51)66(52)58)68(56-31-19-8-20-32-56)64-44-54(48-23-11-4-12-24-48)42-60(46(64)2)50-27-15-6-16-28-50/h3*5-44H,1-4H3;3-44H,1-2H3
InChIKeyYXHGBAWFMXZPRH-UHFFFAOYSA-N
XLogP77.08
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms278
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003560.66
LogP ≤ 577.08
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-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(2-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 165065666
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine
CID 129062537
N-(3-methylphenyl)-6-[4-(N-(3-methylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 118516716
N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 158435448
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
1-N,3-N-bis(2-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenylpyrene-1,3-diamine
CID 165110589
1-N,6-N-bis(4-methyl-2-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129063016
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606
1-N,3-N-bis(2-methylphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine
CID 15220908
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[5-(2,6-dimethylphenyl)-2-methylphenyl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine
CID 129062646
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-2-amine;N-(3-methylphenyl)-N-phenylnaphthalen-1-amine;N-(3-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158492638

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine (CID 162041133) is 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine is Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4C)ccc4ccc1c2c43.Cc1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2C)c2ccc3ccc4c(N(c5ccc(C)cc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5C)ccc5ccc2c3c54)cc1.Cc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2C)c2ccc3ccc4c(N(c5cccc(C)c5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5C)ccc5ccc2c3c54)c1.Cc1ccccc1N(c1cc(-c2ccccc2)cc(-c2ccccc2)c1C)c1ccc2ccc3c(N(c4ccccc4C)c4cc(-c5ccccc5)cc(-c5ccccc5)c4C)ccc4ccc1c2c43.
What is the InChIKey of 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The InChIKey is YXHGBAWFMXZPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C68H52N2.C66H48N2/c1-45-21-17-19-31-61(45)69(65-43-55(49-23-9-5-10-24-49)41-59(47(65)3)51-27-13-7-14-28-51)63-39-35-53-34-38-58-64(40-36-54-33-37-57(63)67(53)68(54)58)70(62-32-20-18-22-46(62)2)66-44-56(50-25-11-6-12-26-50)42-60(48(66)4)52-29-15-8-16-30-52;1-45-19-17-29-57(39-45)69(65-43-55(49-21-9-5-10-22-49)41-61(47(65)3)51-25-13-7-14-26-51)63-37-33-53-32-36-60-64(38-34-54-31-35-59(63)67(53)68(54)60)70(58-30-18-20-46(2)40-58)66-44-56(50-23-11-6-12-24-50)42-62(48(66)4)52-27-15-8-16-28-52;1-45-25-33-57(34-26-45)69(65-43-55(49-17-9-5-10-18-49)41-61(47(65)3)51-21-13-7-14-22-51)63-39-31-53-30-38-60-64(40-32-54-29-37-59(63)67(53)68(54)60)70(58-35-27-46(2)28-36-58)66-44-56(50-19-11-6-12-20-50)42-62(48(66)4)52-23-15-8-16-24-52;1-45-59(49-25-13-5-14-26-49)41-53(47-21-9-3-10-22-47)43-63(45)67(55-29-17-7-18-30-55)61-39-35-51-34-38-58-62(40-36-52-33-37-57(61)65(51)66(52)58)68(56-31-19-8-20-32-56)64-44-54(48-23-11-4-12-24-48)42-60(46(64)2)50-27-15-6-16-28-50/h3*5-44H,1-4H3;3-44H,1-2H3.
What are the key properties of 1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 3560.66 g/mol, XLogP of 77.08, 40 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-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 162041133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).