10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine

C64H40N2O — CID 155791050

About 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine

10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine (PubChem CID 155791050) has the molecular formula C64H40N2O and a molecular weight of 853.04 g/mol. Its IUPAC name is 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine.

Molecular Properties

• Compound Name: 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine
• PubChem CID: 155791050
• Molecular Formula: C64H40N2O
• Molecular Weight: 853.04 g/mol
• Exact Mass: 852.31
• IUPAC Name: 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine
• SMILES: c1ccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3Oc3c2ccc2ccccc32)cc1
• InChI: InChI=1S/C64H40N2O/c1-2-20-49(21-3-1)65-59-35-33-47(40-61(59)67-64-50-22-7-6-16-42(50)31-36-60(64)65)46-32-34-58-56(39-46)51-23-12-13-28-57(51)66(58)63-54-26-10-8-24-52(54)62(53-25-9-11-27-55(53)63)48-19-14-18-44(38-48)45-30-29-41-15-4-5-17-43(41)37-45/h1-40H
• InChIKey: TXGJTQJCMPKOGH-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.04
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine?

The IUPAC name of 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine (CID 155791050) is 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine.

What is the SMILES notation for 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine?

The canonical SMILES for 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine is c1ccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3Oc3c2ccc2ccccc32)cc1.

What is the InChIKey of 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine?

The InChIKey is TXGJTQJCMPKOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O/c1-2-20-49(21-3-1)65-59-35-33-47(40-61(59)67-64-50-22-7-6-16-42(50)31-36-60(64)65)46-32-34-58-56(39-46)51-23-12-13-28-57(51)66(58)63-54-26-10-8-24-52(54)62(53-25-9-11-27-55(53)63)48-19-14-18-44(38-48)45-30-29-41-15-4-5-17-43(41)37-45/h1-40H.

What are the key properties of 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine?

10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine has a molecular weight of 853.04 g/mol, XLogP of 17.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine is sourced from PubChem (CID 155791050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).