2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile

C36H20N6S — CID 140906146

IUPAC2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccn3)c2cc1Sc1cc2c(cc1C#N)c1ccccc1n2-c1ccccn1
InChIInChI=1S/C36H20N6S/c37-21-23-17-27-25-9-1-3-11-29(25)41(35-13-5-7-15-39-35)31(27)19-33(23)43-34-20-32-28(18-24(34)22-38)26-10-2-4-12-30(26)42(32)36-14-6-8-16-40-36/h1-20H
InChIKeyPVDIHVCDHLINEQ-UHFFFAOYSA-N
MW568.67 g/mol
LogP8.57
Rot. Bonds4

About 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile

2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile (PubChem CID 140906146) has the molecular formula C36H20N6S and a molecular weight of 568.67 g/mol. Its IUPAC name is 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile
PubChem CID140906146
Molecular FormulaC36H20N6S
Molecular Weight568.67 g/mol
Exact Mass568.15
IUPAC Name2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccn3)c2cc1Sc1cc2c(cc1C#N)c1ccccc1n2-c1ccccn1
InChIInChI=1S/C36H20N6S/c37-21-23-17-27-25-9-1-3-11-29(25)41(35-13-5-7-15-39-35)31(27)19-33(23)43-34-20-32-28(18-24(34)22-38)26-10-2-4-12-30(26)42(32)36-14-6-8-16-40-36/h1-20H
InChIKeyPVDIHVCDHLINEQ-UHFFFAOYSA-N
XLogP8.57
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 140906232
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523867
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
11-pyridin-2-yl-[1]benzothiolo[3,2-b]carbazole
CID 118488537
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523509
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
formonitrile;2-(1-methylimidazol-2-yl)-9-pyridin-2-ylcarbazole;platinum(2+)
CID 71478924
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
5-(6-phenyl-4-pyridin-2-yl-2-pyridinyl)-7-pyridin-2-ylindolo[2,3-b]carbazole
CID 156769318

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile?
The IUPAC name of 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile (CID 140906146) is 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile?
The canonical SMILES for 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile is N#Cc1cc2c3ccccc3n(-c3ccccn3)c2cc1Sc1cc2c(cc1C#N)c1ccccc1n2-c1ccccn1.
What is the InChIKey of 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile?
The InChIKey is PVDIHVCDHLINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N6S/c37-21-23-17-27-25-9-1-3-11-29(25)41(35-13-5-7-15-39-35)31(27)19-33(23)43-34-20-32-28(18-24(34)22-38)26-10-2-4-12-30(26)42(32)36-14-6-8-16-40-36/h1-20H.
What are the key properties of 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile?
2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile has a molecular weight of 568.67 g/mol, XLogP of 8.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 140906146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).