2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole

C118H78N8 — CID 153448985

About 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole

2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole (PubChem CID 153448985) has the molecular formula C118H78N8 and a molecular weight of 1607.98 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole
• PubChem CID: 153448985
• Molecular Formula: C118H78N8
• Molecular Weight: 1607.98 g/mol
• Exact Mass: 1606.63
• IUPAC Name: 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole
• SMILES: c1ccc(-n2c(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)c7)cn6)nc5)c4)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C118H78N8/c1-3-27-95(28-4-1)125-115-47-21-19-45-113(115)123-117(125)85-61-53-81(54-62-85)99-33-9-15-39-105(99)91-72-92(106-40-16-10-34-100(106)82-55-63-86(64-56-82)118-124-114-46-20-22-48-116(114)126(118)96-29-5-2-6-30-96)76-94(75-91)108-42-18-12-36-102(108)88-66-68-112(122-78-88)111-67-65-87(77-121-111)101-35-11-17-41-107(101)93-73-89(103-37-13-7-31-97(103)79-49-57-83(58-50-79)109-43-23-25-69-119-109)71-90(74-93)104-38-14-8-32-98(104)80-51-59-84(60-52-80)110-44-24-26-70-120-110/h1-78H
• InChIKey: FAMXAGQEMPGPTM-UHFFFAOYSA-N
• XLogP: 30.28
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1607.98
LogP ≤ 5	30.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole?

The IUPAC name of 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole (CID 153448985) is 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)c7)cn6)nc5)c4)cc3)nc3ccccc32)cc1.

What is the InChIKey of 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole?

The InChIKey is FAMXAGQEMPGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H78N8/c1-3-27-95(28-4-1)125-115-47-21-19-45-113(115)123-117(125)85-61-53-81(54-62-85)99-33-9-15-39-105(99)91-72-92(106-40-16-10-34-100(106)82-55-63-86(64-56-82)118-124-114-46-20-22-48-116(114)126(118)96-29-5-2-6-30-96)76-94(75-91)108-42-18-12-36-102(108)88-66-68-112(122-78-88)111-67-65-87(77-121-111)101-35-11-17-41-107(101)93-73-89(103-37-13-7-31-97(103)79-49-57-83(58-50-79)109-43-23-25-69-119-109)71-90(74-93)104-38-14-8-32-98(104)80-51-59-84(60-52-80)110-44-24-26-70-120-110/h1-78H.

What are the key properties of 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole?

2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 1607.98 g/mol, XLogP of 30.28, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 153448985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).