1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C135H98N6 — CID 157084085

About 1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine

1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 157084085) has the molecular formula C135H98N6 and a molecular weight of 1804.31 g/mol. Its IUPAC name is 1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
• PubChem CID: 157084085
• Molecular Formula: C135H98N6
• Molecular Weight: 1804.31 g/mol
• Exact Mass: 1802.79
• IUPAC Name: 1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
• SMILES: CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1cc2ccccc2c2ccccc12.CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1ccc2c3cccc4cccc(c5cccc1c52)c43.CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1ccc2cc3ccccc3cc2c1
• InChI: InChI=1S/C49H34N2.2C43H32N2/c1-50(46-32-31-44-42-19-8-16-36-15-7-18-41(48(36)42)43-20-10-21-45(46)49(43)44)37-27-29-39(30-28-37)51(47-22-9-14-35-13-5-6-17-40(35)47)38-25-23-34(24-26-38)33-11-3-2-4-12-33;1-44(43-30-34-15-6-7-17-38(34)40-19-9-10-20-41(40)43)35-26-28-37(29-27-35)45(42-21-11-16-33-14-5-8-18-39(33)42)36-24-22-32(23-25-36)31-12-3-2-4-13-31;1-44(41-23-20-36-28-34-13-5-6-14-35(34)29-37(36)30-41)38-24-26-40(27-25-38)45(43-17-9-15-33-12-7-8-16-42(33)43)39-21-18-32(19-22-39)31-10-3-2-4-11-31/h2-32H,1H3;2*2-30H,1H3
• InChIKey: ADWSAAPJFAVQPK-UHFFFAOYSA-N
• XLogP: 37.90
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1804.31
LogP ≤ 5	37.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 157084085) is 1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

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

The canonical SMILES for 1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine is CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1cc2ccccc2c2ccccc12.CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1ccc2c3cccc4cccc(c5cccc1c52)c43.CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1ccc2cc3ccccc3cc2c1.

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

The InChIKey is ADWSAAPJFAVQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2.2C43H32N2/c1-50(46-32-31-44-42-19-8-16-36-15-7-18-41(48(36)42)43-20-10-21-45(46)49(43)44)37-27-29-39(30-28-37)51(47-22-9-14-35-13-5-6-17-40(35)47)38-25-23-34(24-26-38)33-11-3-2-4-12-33;1-44(43-30-34-15-6-7-17-38(34)40-19-9-10-20-41(40)43)35-26-28-37(29-27-35)45(42-21-11-16-33-14-5-8-18-39(33)42)36-24-22-32(23-25-36)31-12-3-2-4-13-31;1-44(41-23-20-36-28-34-13-5-6-14-35(34)29-37(36)30-41)38-24-26-40(27-25-38)45(43-17-9-15-33-12-7-8-16-42(33)43)39-21-18-32(19-22-39)31-10-3-2-4-11-31/h2-32H,1H3;2*2-30H,1H3.

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

1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 1804.31 g/mol, XLogP of 37.90, 18 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-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 157084085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).