9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole

C56H35N — CID 130377387

About 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole

9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole (PubChem CID 130377387) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol. Its IUPAC name is 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 130377387
• Molecular Formula: C56H35N
• Molecular Weight: 721.90 g/mol
• Exact Mass: 721.28
• IUPAC Name: 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
• SMILES: c1ccc2cc3cc(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-c6cccc7ccccc67)cc45)ccc3cc2c1
• InChI: InChI=1S/C56H35N/c1-2-14-39-33-43-34-42(25-24-40(43)32-38(39)13-1)56-50-20-6-5-19-49(50)55(51-31-28-41(35-52(51)56)46-21-11-15-36-12-3-4-16-45(36)46)37-26-29-44(30-27-37)57-53-22-9-7-17-47(53)48-18-8-10-23-54(48)57/h1-35H
• InChIKey: RBYOXEKCOXUELA-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.90
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole (CID 130377387) is 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole is c1ccc2cc3cc(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-c6cccc7ccccc67)cc45)ccc3cc2c1.

What is the InChIKey of 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?

The InChIKey is RBYOXEKCOXUELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-2-14-39-33-43-34-42(25-24-40(43)32-38(39)13-1)56-50-20-6-5-19-49(50)55(51-31-28-41(35-52(51)56)46-21-11-15-36-12-3-4-16-45(36)46)37-26-29-44(30-27-37)57-53-22-9-7-17-47(53)48-18-8-10-23-54(48)57/h1-35H.

What are the key properties of 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?

9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole has a molecular weight of 721.90 g/mol, XLogP of 15.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 130377387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).