1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole

C59H40N4 — CID 134191315

IUPAC1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5cnc6ccccc65)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1
InChIInChI=1S/C59H40N4/c1-3-15-42(16-4-1)56-33-29-44(38-60-56)51-20-8-11-23-54(51)47-35-46(36-48(37-47)55-24-12-9-21-52(55)45-30-34-57(61-39-45)43-17-5-2-6-18-43)53-22-10-7-19-50(53)41-27-31-49(32-28-41)63-40-62-58-25-13-14-26-59(58)63/h1-40H
InChIKeySBZORLNJDPLVAX-UHFFFAOYSA-N
MW805.00 g/mol
LogP15.15
Rot. Bonds9

About 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole

1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole (PubChem CID 134191315) has the molecular formula C59H40N4 and a molecular weight of 805.00 g/mol. Its IUPAC name is 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole
PubChem CID134191315
Molecular FormulaC59H40N4
Molecular Weight805.00 g/mol
Exact Mass804.33
IUPAC Name1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5cnc6ccccc65)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1
InChIInChI=1S/C59H40N4/c1-3-15-42(16-4-1)56-33-29-44(38-60-56)51-20-8-11-23-54(51)47-35-46(36-48(37-47)55-24-12-9-21-52(55)45-30-34-57(61-39-45)43-17-5-2-6-18-43)53-22-10-7-19-50(53)41-27-31-49(32-28-41)63-40-62-58-25-13-14-26-59(58)63/h1-40H
InChIKeySBZORLNJDPLVAX-UHFFFAOYSA-N
XLogP15.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.00
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
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
1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 121258021
1-[4-(6,7-diazabicyclo[3.2.1]octa-1,3,5(8),6-tetraen-2-yl)phenyl]benzimidazole
CID 141165148
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
5-[2-[3,5-bis[2-[6-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]pyridine
CID 153429712
2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[1-(6-phenyl-3-pyridinyl)imidazol-2-yl]phenyl]imidazol-1-yl]pyridine
CID 142438949
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]pyridine
CID 139298727

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole?
The IUPAC name of 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole (CID 134191315) is 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole is c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5cnc6ccccc65)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1.
What is the InChIKey of 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole?
The InChIKey is SBZORLNJDPLVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4/c1-3-15-42(16-4-1)56-33-29-44(38-60-56)51-20-8-11-23-54(51)47-35-46(36-48(37-47)55-24-12-9-21-52(55)45-30-34-57(61-39-45)43-17-5-2-6-18-43)53-22-10-7-19-50(53)41-27-31-49(32-28-41)63-40-62-58-25-13-14-26-59(58)63/h1-40H.
What are the key properties of 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole?
1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole has a molecular weight of 805.00 g/mol, XLogP of 15.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole is sourced from PubChem (CID 134191315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).