9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole

C60H38N2 — CID 59219506

About 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole

9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole (PubChem CID 59219506) has the molecular formula C60H38N2 and a molecular weight of 786.98 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
• PubChem CID: 59219506
• Molecular Formula: C60H38N2
• Molecular Weight: 786.98 g/mol
• Exact Mass: 786.30
• IUPAC Name: 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
• SMILES: c1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
• InChI: InChI=1S/C60H38N2/c1-2-16-40(17-3-1)59-51-33-31-46(62-57-27-12-8-23-49(57)50-24-9-13-28-58(50)62)38-54(51)60(44-20-14-19-42(36-44)43-30-29-39-15-4-5-18-41(39)35-43)52-34-32-45(37-53(52)59)61-55-25-10-6-21-47(55)48-22-7-11-26-56(48)61/h1-38H
• InChIKey: VHJHYAIZQOMZFI-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.98
LogP ≤ 5	16.34
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 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole?

The IUPAC name of 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole (CID 59219506) is 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole.

What is the SMILES notation for 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole?

The canonical SMILES for 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole is c1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.

What is the InChIKey of 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole?

The InChIKey is VHJHYAIZQOMZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2/c1-2-16-40(17-3-1)59-51-33-31-46(62-57-27-12-8-23-49(57)50-24-9-13-28-58(50)62)38-54(51)60(44-20-14-19-42(36-44)43-30-29-39-15-4-5-18-41(39)35-43)52-34-32-45(37-53(52)59)61-55-25-10-6-21-47(55)48-22-7-11-26-56(48)61/h1-38H.

What are the key properties of 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole?

9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole has a molecular weight of 786.98 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole is sourced from PubChem (CID 59219506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).