3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine

C24H18N2 — CID 143540440

IUPAC3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CCC=CC(c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)=C1
InChIInChI=1S/C24H18N2/c1-2-4-9-18(8-3-1)23-16-26-24-22(23)14-21(15-25-24)20-12-11-17-7-5-6-10-19(17)13-20/h1,3-16H,2H2,(H,25,26)
InChIKeyGMQHKVNVGVNWPU-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.28
Rot. Bonds2

About 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine

3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143540440) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID143540440
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CCC=CC(c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)=C1
InChIInChI=1S/C24H18N2/c1-2-4-9-18(8-3-1)23-16-26-24-22(23)14-21(15-25-24)20-12-11-17-7-5-6-10-19(17)13-20/h1,3-16H,2H2,(H,25,26)
InChIKeyGMQHKVNVGVNWPU-UHFFFAOYSA-N
XLogP6.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

[3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
CID 11952952
2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid
CID 68775712
4-cyclohepta-1,3,6-trien-1-ylpyrene
CID 142416160
3-(2-ethylphenyl)-5-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59700061
3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole
CID 155130317
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
N-methyl-5-naphthalen-2-ylpyrimidin-2-amine
CID 116977056
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44623244
2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 11515031
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295
N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane
CID 145265072

Frequently Asked Questions

What is the IUPAC name of 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 143540440) is 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine is C1=CCC=CC(c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)=C1.
What is the InChIKey of 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GMQHKVNVGVNWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-2-4-9-18(8-3-1)23-16-26-24-22(23)14-21(15-25-24)20-12-11-17-7-5-6-10-19(17)13-20/h1,3-16H,2H2,(H,25,26).
What are the key properties of 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine?
3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 334.42 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143540440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).