4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine

C138H116N6 — CID 90967066

About 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine

4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 90967066) has the molecular formula C138H116N6 and a molecular weight of 1858.49 g/mol. Its IUPAC name is 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
• PubChem CID: 90967066
• Molecular Formula: C138H116N6
• Molecular Weight: 1858.49 g/mol
• Exact Mass: 1856.93
• IUPAC Name: 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
• SMILES: CCC(C)c1ccc(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1.CCC(C)c1ccc(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.CCC(C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/2C48H40N2.C42H36N2/c1-3-35(2)36-23-27-41(28-24-36)49(47-21-11-17-39-15-7-9-19-45(39)47)43-31-33-44(34-32-43)50(48-22-12-18-40-16-8-10-20-46(40)48)42-29-25-38(26-30-42)37-13-5-4-6-14-37;1-3-35(2)36-20-25-44(26-21-36)50(48-19-11-17-40-15-9-10-18-47(40)48)45-32-30-43(31-33-45)49(46-29-24-38-14-7-8-16-41(38)34-46)42-27-22-39(23-28-42)37-12-5-4-6-13-37;1-3-31(2)32-20-23-38(24-21-32)44(42-19-11-15-34-13-9-10-18-41(34)42)39-28-26-37(27-29-39)43(36-16-5-4-6-17-36)40-25-22-33-12-7-8-14-35(33)30-40/h2*4-35H,3H2,1-2H3;4-31H,3H2,1-2H3
• InChIKey: GGMPNBDWNJEGPY-UHFFFAOYSA-N
• XLogP: 40.67
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1858.49
LogP ≤ 5	40.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine?

The IUPAC name of 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine (CID 90967066) is 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine?

The canonical SMILES for 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine is CCC(C)c1ccc(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1.CCC(C)c1ccc(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.CCC(C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine?

The InChIKey is GGMPNBDWNJEGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H40N2.C42H36N2/c1-3-35(2)36-23-27-41(28-24-36)49(47-21-11-17-39-15-7-9-19-45(39)47)43-31-33-44(34-32-43)50(48-22-12-18-40-16-8-10-20-46(40)48)42-29-25-38(26-30-42)37-13-5-4-6-14-37;1-3-35(2)36-20-25-44(26-21-36)50(48-19-11-17-40-15-9-10-18-47(40)48)45-32-30-43(31-33-45)49(46-29-24-38-14-7-8-16-41(38)34-46)42-27-22-39(23-28-42)37-12-5-4-6-13-37;1-3-31(2)32-20-23-38(24-21-32)44(42-19-11-15-34-13-9-10-18-41(34)42)39-28-26-37(27-29-39)43(36-16-5-4-6-17-36)40-25-22-33-12-7-8-14-35(33)30-40/h2*4-35H,3H2,1-2H3;4-31H,3H2,1-2H3.

What are the key properties of 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine?

4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 1858.49 g/mol, XLogP of 40.67, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 90967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).