2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile

C30H19N3S — CID 146543302

IUPAC2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3cccc(N4c5ccccc5Sc5ccccc54)c3)cc2)c1
InChIInChI=1S/C30H19N3S/c31-20-21-16-17-32-26(18-21)23-14-12-22(13-15-23)24-6-5-7-25(19-24)33-27-8-1-3-10-29(27)34-30-11-4-2-9-28(30)33/h1-19H
InChIKeySNOLEJSQTUTDTP-UHFFFAOYSA-N
MW453.57 g/mol
LogP8.22
Rot. Bonds3

About 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile

2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile (PubChem CID 146543302) has the molecular formula C30H19N3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
PubChem CID146543302
Molecular FormulaC30H19N3S
Molecular Weight453.57 g/mol
Exact Mass453.13
IUPAC Name2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3cccc(N4c5ccccc5Sc5ccccc54)c3)cc2)c1
InChIInChI=1S/C30H19N3S/c31-20-21-16-17-32-26(18-21)23-14-12-22(13-15-23)24-6-5-7-25(19-24)33-27-8-1-3-10-29(27)34-30-11-4-2-9-28(30)33/h1-19H
InChIKeySNOLEJSQTUTDTP-UHFFFAOYSA-N
XLogP8.22
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542724
2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile;2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile;3-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile;5-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 160825245
4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
CID 146542786
3-[3-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146542766
2-[3-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542824
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
2-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543470
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
2-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146542742
2-[4-[6-[4-(4-isocyano-2-pyridinyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]pyridine-4-carbonitrile
CID 140769156

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile (CID 146543302) is 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccc(-c3cccc(N4c5ccccc5Sc5ccccc54)c3)cc2)c1.
What is the InChIKey of 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile?
The InChIKey is SNOLEJSQTUTDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3S/c31-20-21-16-17-32-26(18-21)23-14-12-22(13-15-23)24-6-5-7-25(19-24)33-27-8-1-3-10-29(27)34-30-11-4-2-9-28(30)33/h1-19H.
What are the key properties of 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile?
2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile has a molecular weight of 453.57 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 146543302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).