2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine

C34H28N2O — CID 135060859

IUPAC2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1ccc(-c2cnc(-c3ccccc3)c3c(Cc4ccccc4)c(Cc4ccccc4)[nH]c23)cc1
InChIInChI=1S/C34H28N2O/c1-37-28-19-17-26(18-20-28)30-23-35-33(27-15-9-4-10-16-27)32-29(21-24-11-5-2-6-12-24)31(36-34(30)32)22-25-13-7-3-8-14-25/h2-20,23,36H,21-22H2,1H3
InChIKeyNDYFZRWXYCSLHQ-UHFFFAOYSA-N
MW480.61 g/mol
LogP8.09
Rot. Bonds7

About 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine

2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 135060859) has the molecular formula C34H28N2O and a molecular weight of 480.61 g/mol. Its IUPAC name is 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID135060859
Molecular FormulaC34H28N2O
Molecular Weight480.61 g/mol
Exact Mass480.22
IUPAC Name2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1ccc(-c2cnc(-c3ccccc3)c3c(Cc4ccccc4)c(Cc4ccccc4)[nH]c23)cc1
InChIInChI=1S/C34H28N2O/c1-37-28-19-17-26(18-20-28)30-23-35-33(27-15-9-4-10-16-27)32-29(21-24-11-5-2-6-12-24)31(36-34(30)32)22-25-13-7-3-8-14-25/h2-20,23,36H,21-22H2,1H3
InChIKeyNDYFZRWXYCSLHQ-UHFFFAOYSA-N
XLogP8.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine (CID 135060859) is 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine is COc1ccc(-c2cnc(-c3ccccc3)c3c(Cc4ccccc4)c(Cc4ccccc4)[nH]c23)cc1.
What is the InChIKey of 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is NDYFZRWXYCSLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O/c1-37-28-19-17-26(18-20-28)30-23-35-33(27-15-9-4-10-16-27)32-29(21-24-11-5-2-6-12-24)31(36-34(30)32)22-25-13-7-3-8-14-25/h2-20,23,36H,21-22H2,1H3.
What are the key properties of 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine?
2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 480.61 g/mol, XLogP of 8.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 135060859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).