N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine

C69H50N2 — CID 59372432

About N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine (PubChem CID 59372432) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine
• PubChem CID: 59372432
• Molecular Formula: C69H50N2
• Molecular Weight: 907.17 g/mol
• Exact Mass: 906.40
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc2n3-c2ccccc2)c(C)c1
• InChI: InChI=1S/C69H50N2/c1-45-41-46(2)67(47(3)42-45)52-33-39-65-63(43-52)64-44-56(38-40-66(64)71(65)53-21-8-5-9-22-53)70(54-34-29-49(30-35-54)58-28-16-20-48-17-10-11-23-57(48)58)55-36-31-51(32-37-55)69-61-26-14-12-24-59(61)68(50-18-6-4-7-19-50)60-25-13-15-27-62(60)69/h4-44H,1-3H3
• InChIKey: XLOQRAOOIGJTBX-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.17
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine (CID 59372432) is N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine is Cc1cc(C)c(-c2ccc3c(c2)c2cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc2n3-c2ccccc2)c(C)c1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine?

The InChIKey is XLOQRAOOIGJTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2/c1-45-41-46(2)67(47(3)42-45)52-33-39-65-63(43-52)64-44-56(38-40-66(64)71(65)53-21-8-5-9-22-53)70(54-34-29-49(30-35-54)58-28-16-20-48-17-10-11-23-57(48)58)55-36-31-51(32-37-55)69-61-26-14-12-24-59(61)68(50-18-6-4-7-19-50)60-25-13-15-27-62(60)69/h4-44H,1-3H3.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine?

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine has a molecular weight of 907.17 g/mol, XLogP of 19.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine is sourced from PubChem (CID 59372432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).