4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile

C24H15N3S — CID 146542786

IUPAC4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(N3c4ccccc4Sc4ccccc43)c2)ccn1
InChIInChI=1S/C24H15N3S/c25-16-19-14-18(12-13-26-19)17-6-5-7-20(15-17)27-21-8-1-3-10-23(21)28-24-11-4-2-9-22(24)27/h1-15H
InChIKeyOJKIWRGHTPWDJL-UHFFFAOYSA-N
MW377.47 g/mol
LogP6.55
Rot. Bonds2

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

4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile (PubChem CID 146542786) has the molecular formula C24H15N3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
PubChem CID146542786
Molecular FormulaC24H15N3S
Molecular Weight377.47 g/mol
Exact Mass377.10
IUPAC Name4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(N3c4ccccc4Sc4ccccc43)c2)ccn1
InChIInChI=1S/C24H15N3S/c25-16-19-14-18(12-13-26-19)17-6-5-7-20(15-17)27-21-8-1-3-10-23(21)28-24-11-4-2-9-22(24)27/h1-15H
InChIKeyOJKIWRGHTPWDJL-UHFFFAOYSA-N
XLogP6.55
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146542766
2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543302
4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
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-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397406
10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
CID 118303730
2-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543470
5-(2-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
CID 146538293
4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397870
4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
CID 118397389
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543016
10-[3-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]phenyl]phenothiazine
CID 170402986

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile (CID 146542786) is 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(N3c4ccccc4Sc4ccccc43)c2)ccn1.
What is the InChIKey of 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile?
The InChIKey is OJKIWRGHTPWDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3S/c25-16-19-14-18(12-13-26-19)17-6-5-7-20(15-17)27-21-8-1-3-10-23(21)28-24-11-4-2-9-22(24)27/h1-15H.
What are the key properties of 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile?
4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile has a molecular weight of 377.47 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 146542786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).