10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile

C32H19N3S — CID 145347940

IUPAC10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)S1(c3cc(C#N)ccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C32H19N3S/c33-20-22-14-16-25-26-17-15-23(21-34)19-32(26)36(31(25)18-22)29-12-6-4-10-27(29)35(24-8-2-1-3-9-24)28-11-5-7-13-30(28)36/h1-19H
InChIKeyZMGXLJICEWGCGP-UHFFFAOYSA-N
MW477.59 g/mol
LogP8.53
Rot. Bonds1

About 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile

10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile (PubChem CID 145347940) has the molecular formula C32H19N3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile.

Molecular Properties

Compound Name10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile
PubChem CID145347940
Molecular FormulaC32H19N3S
Molecular Weight477.59 g/mol
Exact Mass477.13
IUPAC Name10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)S1(c3cc(C#N)ccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C32H19N3S/c33-20-22-14-16-25-26-17-15-23(21-34)19-32(26)36(31(25)18-22)29-12-6-4-10-27(29)35(24-8-2-1-3-9-24)28-11-5-7-13-30(28)36/h1-19H
InChIKeyZMGXLJICEWGCGP-UHFFFAOYSA-N
XLogP8.53
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-10-phenylphenothiazine
CID 130452501
4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-3-methylbenzonitrile
CID 122435770
2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122435734
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine
CID 170220363
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
5-[2-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543106
2-[3-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542824
6-[3-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543496
4-[4-(14,22-diphenyl-1,8,14,22-tetrazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]sulfonylbenzonitrile
CID 175631840

Frequently Asked Questions

What is the IUPAC name of 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile?
The IUPAC name of 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile (CID 145347940) is 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile.
What is the SMILES notation for 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile?
The canonical SMILES for 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile is N#Cc1ccc2c(c1)S1(c3cc(C#N)ccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile?
The InChIKey is ZMGXLJICEWGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3S/c33-20-22-14-16-25-26-17-15-23(21-34)19-32(26)36(31(25)18-22)29-12-6-4-10-27(29)35(24-8-2-1-3-9-24)28-11-5-7-13-30(28)36/h1-19H.
What are the key properties of 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile?
10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile has a molecular weight of 477.59 g/mol, XLogP of 8.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-phenylspiro[dibenzothiophene-5,5'-phenothiazine]-3,7-dicarbonitrile is sourced from PubChem (CID 145347940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).