2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine

C23H22N2 — CID 143459592

IUPAC2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine
SMILESCc1nccc2c1c(C)c(C)n2Cc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2/c1-16-18(3)25(22-13-14-24-17(2)23(16)22)15-20-11-7-8-12-21(20)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3
InChIKeyNXLYCLLSCIGRRV-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.68
Rot. Bonds3

About 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine

2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine (PubChem CID 143459592) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine
PubChem CID143459592
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine
SMILESCc1nccc2c1c(C)c(C)n2Cc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2/c1-16-18(3)25(22-13-14-24-17(2)23(16)22)15-20-11-7-8-12-21(20)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3
InChIKeyNXLYCLLSCIGRRV-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine?
The IUPAC name of 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine (CID 143459592) is 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine is Cc1nccc2c1c(C)c(C)n2Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine?
The InChIKey is NXLYCLLSCIGRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-16-18(3)25(22-13-14-24-17(2)23(16)22)15-20-11-7-8-12-21(20)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine?
2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine has a molecular weight of 326.44 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 143459592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).