4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C72H48N2 — CID 59282036

About 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 59282036) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• PubChem CID: 59282036
• Molecular Formula: C72H48N2
• Molecular Weight: 941.19 g/mol
• Exact Mass: 940.38
• IUPAC Name: 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C72H48N2/c1-3-17-54(18-4-1)71-64-24-9-11-26-66(64)72(67-27-12-10-25-65(67)71)55-38-45-60(46-39-55)73(58-41-34-50(35-42-58)49-30-32-53(33-31-49)62-28-15-19-52-16-7-8-22-61(52)62)59-43-36-51(37-44-59)56-40-47-70-68(48-56)63-23-13-14-29-69(63)74(70)57-20-5-2-6-21-57/h1-48H
• InChIKey: CHAMDWUOKVNJAM-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.19
LogP ≤ 5	20.05
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 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The IUPAC name of 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 59282036) is 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

What is the SMILES notation for 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The canonical SMILES for 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1.

What is the InChIKey of 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The InChIKey is CHAMDWUOKVNJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-3-17-54(18-4-1)71-64-24-9-11-26-66(64)72(67-27-12-10-25-65(67)71)55-38-45-60(46-39-55)73(58-41-34-50(35-42-58)49-30-32-53(33-31-49)62-28-15-19-52-16-7-8-22-61(52)62)59-43-36-51(37-44-59)56-40-47-70-68(48-56)63-23-13-14-29-69(63)74(70)57-20-5-2-6-21-57/h1-48H.

What are the key properties of 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 941.19 g/mol, XLogP of 20.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 59282036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).