1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole

C89H58N4 — CID 139519929

About 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole

1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 139519929) has the molecular formula C89H58N4 and a molecular weight of 1183.47 g/mol. Its IUPAC name is 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

• Compound Name: 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
• PubChem CID: 139519929
• Molecular Formula: C89H58N4
• Molecular Weight: 1183.47 g/mol
• Exact Mass: 1182.47
• IUPAC Name: 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
• SMILES: Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7c8ccccc8c(-c8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)cc8)c8ccccc78)c6)c5)ccc34)c3ccccc23)cc1
• InChI: InChI=1S/C89H58N4/c1-57-90-81-38-16-18-40-83(81)92(57)69-47-42-59(43-48-69)86-77-33-12-14-35-79(77)88(80-36-15-13-34-78(80)86)72-37-21-28-65-53-64(46-51-71(65)72)62-26-20-27-63(52-62)67-54-66(58-22-4-2-5-23-58)55-68(56-67)87-75-31-10-8-29-73(75)85(74-30-9-11-32-76(74)87)60-44-49-70(50-45-60)93-84-41-19-17-39-82(84)91-89(93)61-24-6-3-7-25-61/h2-56H,1H3
• InChIKey: LLFYXHDWVVNWNG-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.47
LogP ≤ 5	23.77
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 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole?

The IUPAC name of 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole (CID 139519929) is 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole.

What is the SMILES notation for 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole?

The canonical SMILES for 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7c8ccccc8c(-c8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)cc8)c8ccccc78)c6)c5)ccc34)c3ccccc23)cc1.

What is the InChIKey of 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole?

The InChIKey is LLFYXHDWVVNWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H58N4/c1-57-90-81-38-16-18-40-83(81)92(57)69-47-42-59(43-48-69)86-77-33-12-14-35-79(77)88(80-36-15-13-34-78(80)86)72-37-21-28-65-53-64(46-51-71(65)72)62-26-20-27-63(52-62)67-54-66(58-22-4-2-5-23-58)55-68(56-67)87-75-31-10-8-29-73(75)85(74-30-9-11-32-76(74)87)60-44-49-70(50-45-60)93-84-41-19-17-39-82(84)91-89(93)61-24-6-3-7-25-61/h2-56H,1H3.

What are the key properties of 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole?

1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 1183.47 g/mol, XLogP of 23.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 139519929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).