2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

C30H21N3O — CID 16736806

IUPAC2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(-c4cccc(-c5ccccc5)c4)nc3cc1C2
InChIInChI=1S/C30H21N3O/c34-29-30(25-10-5-13-31-28(25)33-29)17-23-15-22-11-12-26(32-27(22)16-24(23)18-30)21-9-4-8-20(14-21)19-6-2-1-3-7-19/h1-16H,17-18H2,(H,31,33,34)
InChIKeyFXPWMTWZSMNLKS-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.95
Rot. Bonds2

About 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (PubChem CID 16736806) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.

Molecular Properties

Compound Name2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
PubChem CID16736806
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(-c4cccc(-c5ccccc5)c4)nc3cc1C2
InChIInChI=1S/C30H21N3O/c34-29-30(25-10-5-13-31-28(25)33-29)17-23-15-22-11-12-26(32-27(22)16-24(23)18-30)21-9-4-8-20(14-21)19-6-2-1-3-7-19/h1-16H,17-18H2,(H,31,33,34)
InChIKeyFXPWMTWZSMNLKS-UHFFFAOYSA-N
XLogP5.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The IUPAC name of 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (CID 16736806) is 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.
What is the SMILES notation for 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The canonical SMILES for 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is O=C1Nc2ncccc2C12Cc1cc3ccc(-c4cccc(-c5ccccc5)c4)nc3cc1C2.
What is the InChIKey of 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The InChIKey is FXPWMTWZSMNLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c34-29-30(25-10-5-13-31-28(25)33-29)17-23-15-22-11-12-26(32-27(22)16-24(23)18-30)21-9-4-8-20(14-21)19-6-2-1-3-7-19/h1-16H,17-18H2,(H,31,33,34).
What are the key properties of 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one has a molecular weight of 439.52 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is sourced from PubChem (CID 16736806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).