1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine

C138H108N4 — CID 159632080

About 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine

1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 159632080) has the molecular formula C138H108N4 and a molecular weight of 1822.41 g/mol. Its IUPAC name is 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
• PubChem CID: 159632080
• Molecular Formula: C138H108N4
• Molecular Weight: 1822.41 g/mol
• Exact Mass: 1820.86
• IUPAC Name: 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
• SMILES: Cc1ccc(N(c2cc(-c3ccccc3C)cc(-c3ccccc3C)c2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5cc(-c6ccccc6C)cc(-c6ccccc6C)c5)ccc5ccc2c3c54)cc1.Cc1ccccc1-c1cc(-c2ccccc2C)cc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cc(-c6ccccc6C)cc(-c6ccccc6C)c5)ccc5ccc2c3c54)c1
• InChI: InChI=1S/C70H56N2.C68H52N2/c1-45-23-31-57(32-24-45)71(59-41-53(61-19-11-7-15-47(61)3)39-54(42-59)62-20-12-8-16-48(62)4)67-37-29-51-28-36-66-68(38-30-52-27-35-65(67)69(51)70(52)66)72(58-33-25-46(2)26-34-58)60-43-55(63-21-13-9-17-49(63)5)40-56(44-60)64-22-14-10-18-50(64)6;1-45-19-11-15-27-59(45)51-39-52(60-28-16-12-20-46(60)2)42-57(41-51)69(55-23-7-5-8-24-55)65-37-33-49-32-36-64-66(38-34-50-31-35-63(65)67(49)68(50)64)70(56-25-9-6-10-26-56)58-43-53(61-29-17-13-21-47(61)3)40-54(44-58)62-30-18-14-22-48(62)4/h7-44H,1-6H3;5-44H,1-4H3
• InChIKey: MPGGWVCVHYPPKJ-UHFFFAOYSA-N
• XLogP: 39.47
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1822.41
LogP ≤ 5	39.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine (CID 159632080) is 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine is Cc1ccc(N(c2cc(-c3ccccc3C)cc(-c3ccccc3C)c2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5cc(-c6ccccc6C)cc(-c6ccccc6C)c5)ccc5ccc2c3c54)cc1.Cc1ccccc1-c1cc(-c2ccccc2C)cc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cc(-c6ccccc6C)cc(-c6ccccc6C)c5)ccc5ccc2c3c54)c1.

What is the InChIKey of 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?

The InChIKey is MPGGWVCVHYPPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N2.C68H52N2/c1-45-23-31-57(32-24-45)71(59-41-53(61-19-11-7-15-47(61)3)39-54(42-59)62-20-12-8-16-48(62)4)67-37-29-51-28-36-66-68(38-30-52-27-35-65(67)69(51)70(52)66)72(58-33-25-46(2)26-34-58)60-43-55(63-21-13-9-17-49(63)5)40-56(44-60)64-22-14-10-18-50(64)6;1-45-19-11-15-27-59(45)51-39-52(60-28-16-12-20-46(60)2)42-57(41-51)69(55-23-7-5-8-24-55)65-37-33-49-32-36-64-66(38-34-50-31-35-63(65)67(49)68(50)64)70(56-25-9-6-10-26-56)58-43-53(61-29-17-13-21-47(61)3)40-54(44-58)62-30-18-14-22-48(62)4/h7-44H,1-6H3;5-44H,1-4H3.

What are the key properties of 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?

1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 1822.41 g/mol, XLogP of 39.47, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 159632080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).