3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile

C35H28N4O — CID 139049419

IUPAC3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile
SMILESCCN(CC)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c(c1C#N)-c1ccccc1C2=O
InChIInChI=1S/C35H28N4O/c1-3-38(4-2)35-30(23-36)31-28-17-11-12-18-29(28)34(40)32(31)33(37-35)24-19-21-27(22-20-24)39(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,3-4H2,1-2H3
InChIKeyRYXBBPYQYASNIL-UHFFFAOYSA-N
MW520.64 g/mol
LogP8.15
Rot. Bonds7

About 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile

3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile (PubChem CID 139049419) has the molecular formula C35H28N4O and a molecular weight of 520.64 g/mol. Its IUPAC name is 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile
PubChem CID139049419
Molecular FormulaC35H28N4O
Molecular Weight520.64 g/mol
Exact Mass520.23
IUPAC Name3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile
SMILESCCN(CC)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c(c1C#N)-c1ccccc1C2=O
InChIInChI=1S/C35H28N4O/c1-3-38(4-2)35-30(23-36)31-28-17-11-12-18-29(28)34(40)32(31)33(37-35)24-19-21-27(22-20-24)39(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,3-4H2,1-2H3
InChIKeyRYXBBPYQYASNIL-UHFFFAOYSA-N
XLogP8.15
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
CID 140915776
2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 44522390
2-[[4-(diethylamino)phenyl]diazenyl]-4,9-dioxobenzo[f][1]benzothiole-3-carbonitrile
CID 15360761
4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 171985433
1-[4-(N-phenylanilino)phenyl]anthracene-9,10-dione
CID 155920076
4-(4-heptylphenyl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 3560873
3-amino-1-(furan-3-yl)-9-oxoindeno[2,1-c]pyridine-4-carbonitrile
CID 11601677
2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile
CID 156781139
2,6-diphenyl-4-[4-(N-phenylanilino)phenyl]pyridine-3,5-dicarbonitrile;3-oxo-3-phenylpropanenitrile;4-(N-phenylanilino)benzaldehyde
CID 165043683
2-amino-4-[4-(diethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
CID 3360463
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile
CID 146209415

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile?
The IUPAC name of 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile (CID 139049419) is 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile?
The canonical SMILES for 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile is CCN(CC)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c(c1C#N)-c1ccccc1C2=O.
What is the InChIKey of 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile?
The InChIKey is RYXBBPYQYASNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4O/c1-3-38(4-2)35-30(23-36)31-28-17-11-12-18-29(28)34(40)32(31)33(37-35)24-19-21-27(22-20-24)39(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,3-4H2,1-2H3.
What are the key properties of 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile?
3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile has a molecular weight of 520.64 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-9-oxo-1-[4-(N-phenylanilino)phenyl]indeno[2,1-c]pyridine-4-carbonitrile is sourced from PubChem (CID 139049419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).