8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile

C35H22N2S — CID 122435285

IUPAC8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(N3c4ccc(-c5ccccc5)cc4Sc4cc(-c5ccccc5)ccc43)c12
InChIInChI=1S/C35H22N2S/c36-23-29-15-7-13-26-14-8-16-32(35(26)29)37-30-19-17-27(24-9-3-1-4-10-24)21-33(30)38-34-22-28(18-20-31(34)37)25-11-5-2-6-12-25/h1-22H
InChIKeyJITSCTOCFZMLEB-UHFFFAOYSA-N
MW502.64 g/mol
LogP9.98
Rot. Bonds3

About 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile

8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile (PubChem CID 122435285) has the molecular formula C35H22N2S and a molecular weight of 502.64 g/mol. Its IUPAC name is 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile
PubChem CID122435285
Molecular FormulaC35H22N2S
Molecular Weight502.64 g/mol
Exact Mass502.15
IUPAC Name8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(N3c4ccc(-c5ccccc5)cc4Sc4cc(-c5ccccc5)ccc43)c12
InChIInChI=1S/C35H22N2S/c36-23-29-15-7-13-26-14-8-16-32(35(26)29)37-30-19-17-27(24-9-3-1-4-10-24)21-33(30)38-34-22-28(18-20-31(34)37)25-11-5-2-6-12-25/h1-22H
InChIKeyJITSCTOCFZMLEB-UHFFFAOYSA-N
XLogP9.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(9,9-dimethyl-2,7-diphenylacridin-10-yl)naphthalene-1-carbonitrile
CID 122435284
2-[7-(1-benzofuran-2-yl)-1-phenothiazin-10-yldibenzothiophen-4-yl]benzene-1,3-dicarbonitrile
CID 147529553
3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
CID 71004008
3-[2-[3,7-di(phenothiazin-10-yl)phenothiazin-10-yl]phenyl]benzene-1,2-dicarbonitrile
CID 122435681
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
CID 144768210
9,9-dimethyl-6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]thioxanthene-1-carbonitrile
CID 163537216
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenothiazine
CID 134431820
[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid
CID 123987348
5-phenyl-2-[3-[3-(13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)phenyl]phenyl]benzonitrile
CID 138612551
2-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543470
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
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

Frequently Asked Questions

What is the IUPAC name of 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile?
The IUPAC name of 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile (CID 122435285) is 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile is N#Cc1cccc2cccc(N3c4ccc(-c5ccccc5)cc4Sc4cc(-c5ccccc5)ccc43)c12.
What is the InChIKey of 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile?
The InChIKey is JITSCTOCFZMLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2S/c36-23-29-15-7-13-26-14-8-16-32(35(26)29)37-30-19-17-27(24-9-3-1-4-10-24)21-33(30)38-34-22-28(18-20-31(34)37)25-11-5-2-6-12-25/h1-22H.
What are the key properties of 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile?
8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile has a molecular weight of 502.64 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,7-diphenylphenothiazin-10-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 122435285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).