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

C115H90N6 — CID 159221437

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

1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine (PubChem CID 159221437) has the molecular formula C115H90N6 and a molecular weight of 1556.03 g/mol. Its IUPAC name is 1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
• PubChem CID: 159221437
• Molecular Formula: C115H90N6
• Molecular Weight: 1556.03 g/mol
• Exact Mass: 1554.72
• IUPAC Name: 1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
• SMILES: CN(c1ccc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1)c1c2ccccc2cc2ccccc12.CN(c1ccc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1)c1ccc2cc3ccccc3cc2c1.CN(c1ccc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/2C39H30N2.C37H30N2/c1-40(39-37-21-10-8-15-31(37)27-32-16-9-11-22-38(32)39)33-23-25-35(26-24-33)41(34-18-6-3-7-19-34)36-20-12-17-30(28-36)29-13-4-2-5-14-29;1-40(38-20-19-33-25-30-13-8-9-14-31(30)26-34(33)28-38)35-21-23-37(24-22-35)41(36-16-6-3-7-17-36)39-18-10-15-32(27-39)29-11-4-2-5-12-29;1-38(36-21-11-17-31(27-36)29-13-5-2-6-14-29)33-23-25-35(26-24-33)39(34-19-9-4-10-20-34)37-22-12-18-32(28-37)30-15-7-3-8-16-30/h2*2-28H,1H3;2-28H,1H3
• InChIKey: KRSXHYZWQQIGRU-UHFFFAOYSA-N
• XLogP: 32.05
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1556.03
LogP ≤ 5	32.05
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-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine?

The IUPAC name of 1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine (CID 159221437) is 1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine.

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

The canonical SMILES for 1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine is CN(c1ccc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1)c1c2ccccc2cc2ccccc12.CN(c1ccc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1)c1ccc2cc3ccccc3cc2c1.CN(c1ccc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)cc1)c1cccc(-c2ccccc2)c1.

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

The InChIKey is KRSXHYZWQQIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H30N2.C37H30N2/c1-40(39-37-21-10-8-15-31(37)27-32-16-9-11-22-38(32)39)33-23-25-35(26-24-33)41(34-18-6-3-7-19-34)36-20-12-17-30(28-36)29-13-4-2-5-14-29;1-40(38-20-19-33-25-30-13-8-9-14-31(30)26-34(33)28-38)35-21-23-37(24-22-35)41(36-16-6-3-7-17-36)39-18-10-15-32(27-39)29-11-4-2-5-12-29;1-38(36-21-11-17-31(27-36)29-13-5-2-6-14-29)33-23-25-35(26-24-33)39(34-19-9-4-10-20-34)37-22-12-18-32(28-37)30-15-7-3-8-16-30/h2*2-28H,1H3;2-28H,1H3.

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

1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine has a molecular weight of 1556.03 g/mol, XLogP of 32.05, 19 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-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 159221437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).