1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine

C100H84N6 — CID 158312498

About 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine

1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine (PubChem CID 158312498) has the molecular formula C100H84N6 and a molecular weight of 1369.81 g/mol. Its IUPAC name is 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine
• PubChem CID: 158312498
• Molecular Formula: C100H84N6
• Molecular Weight: 1369.81 g/mol
• Exact Mass: 1368.68
• IUPAC Name: 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc(N(C)c3c4ccccc4cc4ccccc34)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(N(C)c3ccc4cc5ccccc5cc4c3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(N(C)c3cccc(-c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/2C34H28N2.C32H28N2/c1-25-16-18-30(19-17-25)36(29-12-4-3-5-13-29)31-22-20-28(21-23-31)35(2)34-32-14-8-6-10-26(32)24-27-11-7-9-15-33(27)34;1-25-12-15-32(16-13-25)36(31-10-4-3-5-11-31)33-20-18-30(19-21-33)35(2)34-17-14-28-22-26-8-6-7-9-27(26)23-29(28)24-34;1-25-16-18-30(19-17-25)34(29-13-7-4-8-14-29)31-22-20-28(21-23-31)33(2)32-15-9-12-27(24-32)26-10-5-3-6-11-26/h2*3-24H,1-2H3;3-24H,1-2H3
• InChIKey: GNVRZEGZKSBDFL-UHFFFAOYSA-N
• XLogP: 27.98
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.81
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine?

The IUPAC name of 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine (CID 158312498) is 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine?

The canonical SMILES for 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine is Cc1ccc(N(c2ccccc2)c2ccc(N(C)c3c4ccccc4cc4ccccc34)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(N(C)c3ccc4cc5ccccc5cc4c3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(N(C)c3cccc(-c4ccccc4)c3)cc2)cc1.

What is the InChIKey of 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine?

The InChIKey is GNVRZEGZKSBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H28N2.C32H28N2/c1-25-16-18-30(19-17-25)36(29-12-4-3-5-13-29)31-22-20-28(21-23-31)35(2)34-32-14-8-6-10-26(32)24-27-11-7-9-15-33(27)34;1-25-12-15-32(16-13-25)36(31-10-4-3-5-11-31)33-20-18-30(19-21-33)35(2)34-17-14-28-22-26-8-6-7-9-27(26)23-29(28)24-34;1-25-16-18-30(19-17-25)34(29-13-7-4-8-14-29)31-22-20-28(21-23-31)33(2)32-15-9-12-27(24-32)26-10-5-3-6-11-26/h2*3-24H,1-2H3;3-24H,1-2H3.

What are the key properties of 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine?

1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine has a molecular weight of 1369.81 g/mol, XLogP of 27.98, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 158312498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).