2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole

C72H46N4 — CID 20771534

About 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole

2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 20771534) has the molecular formula C72H46N4 and a molecular weight of 967.19 g/mol. Its IUPAC name is 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
• PubChem CID: 20771534
• Molecular Formula: C72H46N4
• Molecular Weight: 967.19 g/mol
• Exact Mass: 966.37
• IUPAC Name: 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
• SMILES: c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6cc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)ccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C72H46N4/c1-3-19-59(20-4-1)75-67-25-13-11-23-65(67)73-71(75)51-33-27-49(28-34-51)55-39-41-61-63(45-55)69(57-37-31-47-15-7-9-17-53(47)43-57)62-42-40-56(46-64(62)70(61)58-38-32-48-16-8-10-18-54(48)44-58)50-29-35-52(36-30-50)72-74-66-24-12-14-26-68(66)76(72)60-21-5-2-6-22-60/h1-46H
• InChIKey: RMTJBGPEXFTPCJ-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.19
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

The IUPAC name of 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole (CID 20771534) is 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6cc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)ccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.

What is the InChIKey of 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

The InChIKey is RMTJBGPEXFTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N4/c1-3-19-59(20-4-1)75-67-25-13-11-23-65(67)73-71(75)51-33-27-49(28-34-51)55-39-41-61-63(45-55)69(57-37-31-47-15-7-9-17-53(47)43-57)62-42-40-56(46-64(62)70(61)58-38-32-48-16-8-10-18-54(48)44-58)50-29-35-52(36-30-50)72-74-66-24-12-14-26-68(66)76(72)60-21-5-2-6-22-60/h1-46H.

What are the key properties of 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 967.19 g/mol, XLogP of 18.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 20771534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).