2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile

C32H17N3S — CID 122435836

IUPAC2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C32H17N3S/c33-18-21-6-5-7-22(19-34)30(21)20-12-14-23(15-13-20)35-27-10-3-1-9-26(27)31-28(35)17-16-25-24-8-2-4-11-29(24)36-32(25)31/h1-17H
InChIKeyZAJOBWCNDXGJLE-UHFFFAOYSA-N
MW475.58 g/mol
LogP8.56
Rot. Bonds2

About 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile

2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 122435836) has the molecular formula C32H17N3S and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID122435836
Molecular FormulaC32H17N3S
Molecular Weight475.58 g/mol
Exact Mass475.11
IUPAC Name2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C32H17N3S/c33-18-21-6-5-7-22(19-34)30(21)20-12-14-23(15-13-20)35-27-10-3-1-9-26(27)31-28(35)17-16-25-24-8-2-4-11-29(24)36-32(25)31/h1-17H
InChIKeyZAJOBWCNDXGJLE-UHFFFAOYSA-N
XLogP8.56
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.58
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300159
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5-carbazol-9-ylbenzonitrile;5-carbazol-9-yl-2-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]benzonitrile
CID 163732125
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300211
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 129300030
4,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(9-phenylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 167165464
2-(3-aminocarbazol-9-yl)-3-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzonitrile
CID 126582573
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121329260
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664949
2,4,5-tris([1]benzothiolo[3,2-c]carbazol-5-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 167209100
5-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543874
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile (CID 122435836) is 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1.
What is the InChIKey of 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is ZAJOBWCNDXGJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N3S/c33-18-21-6-5-7-22(19-34)30(21)20-12-14-23(15-13-20)35-27-10-3-1-9-26(27)31-28(35)17-16-25-24-8-2-4-11-29(24)36-32(25)31/h1-17H.
What are the key properties of 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 475.58 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 122435836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).