1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole

C53H37N3 — CID 58489449

IUPAC1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C53H37N3/c1-6-18-40(19-7-1)49-50(41-20-8-2-9-21-41)52(43-24-12-4-13-25-43)56(51(49)42-22-10-3-11-23-42)46-36-34-39(35-37-46)38-30-32-44(33-31-38)53-54-47-28-16-17-29-48(47)55(53)45-26-14-5-15-27-45/h1-37H
InChIKeyVZLWYZFGLZRGQW-UHFFFAOYSA-N
MW715.90 g/mol
LogP13.82
Rot. Bonds8

About 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole

1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole (PubChem CID 58489449) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
PubChem CID58489449
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC Name1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C53H37N3/c1-6-18-40(19-7-1)49-50(41-20-8-2-9-21-41)52(43-24-12-4-13-25-43)56(51(49)42-22-10-3-11-23-42)46-36-34-39(35-37-46)38-30-32-44(33-31-38)53-54-47-28-16-17-29-48(47)55(53)45-26-14-5-15-27-45/h1-37H
InChIKeyVZLWYZFGLZRGQW-UHFFFAOYSA-N
XLogP13.82
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole (CID 58489449) is 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole?
The InChIKey is VZLWYZFGLZRGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-6-18-40(19-7-1)49-50(41-20-8-2-9-21-41)52(43-24-12-4-13-25-43)56(51(49)42-22-10-3-11-23-42)46-36-34-39(35-37-46)38-30-32-44(33-31-38)53-54-47-28-16-17-29-48(47)55(53)45-26-14-5-15-27-45/h1-37H.
What are the key properties of 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole?
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole has a molecular weight of 715.90 g/mol, XLogP of 13.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 58489449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).