5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole

C52H33N — CID 164740453

About 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole

5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole (PubChem CID 164740453) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole
• PubChem CID: 164740453
• Molecular Formula: C52H33N
• Molecular Weight: 671.84 g/mol
• Exact Mass: 671.26
• IUPAC Name: 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5c6cc7ccccc7cc6ccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C52H33N/c1-2-14-34(15-3-1)40-18-6-7-19-41(40)51-44-22-10-8-20-42(44)50(43-21-9-11-23-45(43)51)35-26-29-39(30-27-35)53-48-25-13-12-24-46(48)52-47-33-37-17-5-4-16-36(37)32-38(47)28-31-49(52)53/h1-33H
• InChIKey: WXGACNVGJFWNHC-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.84
LogP ≤ 5	14.40
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 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole?

The IUPAC name of 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole (CID 164740453) is 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole.

What is the SMILES notation for 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole?

The canonical SMILES for 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5c6cc7ccccc7cc6ccc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole?

The InChIKey is WXGACNVGJFWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-2-14-34(15-3-1)40-18-6-7-19-41(40)51-44-22-10-8-20-42(44)50(43-21-9-11-23-45(43)51)35-26-29-39(30-27-35)53-48-25-13-12-24-46(48)52-47-33-37-17-5-4-16-36(37)32-38(47)28-31-49(52)53/h1-33H.

What are the key properties of 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole?

5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole has a molecular weight of 671.84 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole is sourced from PubChem (CID 164740453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).