2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole

C85H53N5 — CID 134414845

About 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole

2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole (PubChem CID 134414845) has the molecular formula C85H53N5 and a molecular weight of 1144.39 g/mol. Its IUPAC name is 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole
• PubChem CID: 134414845
• Molecular Formula: C85H53N5
• Molecular Weight: 1144.39 g/mol
• Exact Mass: 1143.43
• IUPAC Name: 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole
• SMILES: c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6cc(-c7cccc(-n8c(-c9cccc(-c%10c%11ccccc%11c(-c%11ccc%12ccccc%12c%11)c%11ccccc%10%11)c9)nc9ccccc98)c7)ccc6c5)c5ccccc45)cc3)nc3ccccc32)nc1
• InChI: InChI=1S/C85H53N5/c1-2-20-57-50-63(46-38-54(57)19-1)82-73-31-9-7-29-71(73)81(72-30-8-10-32-74(72)82)62-22-17-23-65(52-62)85-88-75-33-11-13-35-77(75)89(85)66-24-18-21-58(53-66)59-43-44-61-51-64(47-45-60(61)49-59)83-69-27-5-3-25-67(69)80(68-26-4-6-28-70(68)83)55-39-41-56(42-40-55)84-87-76-34-12-14-36-78(76)90(84)79-37-15-16-48-86-79/h1-53H
• InChIKey: CFLTXPXGGRGTGX-UHFFFAOYSA-N
• XLogP: 22.35
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1144.39
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole?

The IUPAC name of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole (CID 134414845) is 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole.

What is the SMILES notation for 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole?

The canonical SMILES for 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole is c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6cc(-c7cccc(-n8c(-c9cccc(-c%10c%11ccccc%11c(-c%11ccc%12ccccc%12c%11)c%11ccccc%10%11)c9)nc9ccccc98)c7)ccc6c5)c5ccccc45)cc3)nc3ccccc32)nc1.

What is the InChIKey of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole?

The InChIKey is CFLTXPXGGRGTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H53N5/c1-2-20-57-50-63(46-38-54(57)19-1)82-73-31-9-7-29-71(73)81(72-30-8-10-32-74(72)82)62-22-17-23-65(52-62)85-88-75-33-11-13-35-77(75)89(85)66-24-18-21-58(53-66)59-43-44-61-51-64(47-45-60(61)49-59)83-69-27-5-3-25-67(69)80(68-26-4-6-28-70(68)83)55-39-41-56(42-40-55)84-87-76-34-12-14-36-78(76)90(84)79-37-15-16-48-86-79/h1-53H.

What are the key properties of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole?

2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole has a molecular weight of 1144.39 g/mol, XLogP of 22.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 134414845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).