9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile

C38H20N4S — CID 122501076

IUPAC9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2sc3c(-n4c5ccccc5c5cc(C#N)ccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H20N4S/c39-21-23-13-15-35-29(17-23)28-9-3-6-12-34(28)42(35)36-20-25(19-31-30-18-24(22-40)14-16-37(30)43-38(31)36)41-32-10-4-1-7-26(32)27-8-2-5-11-33(27)41/h1-20H
InChIKeyLYDAPQQPKUKGTL-UHFFFAOYSA-N
MW564.67 g/mol
LogP9.99
Rot. Bonds2

About 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile

9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile (PubChem CID 122501076) has the molecular formula C38H20N4S and a molecular weight of 564.67 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
PubChem CID122501076
Molecular FormulaC38H20N4S
Molecular Weight564.67 g/mol
Exact Mass564.14
IUPAC Name9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2sc3c(-n4c5ccccc5c5cc(C#N)ccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H20N4S/c39-21-23-13-15-35-29(17-23)28-9-3-6-12-34(28)42(35)36-20-25(19-31-30-18-24(22-40)14-16-37(30)43-38(31)36)41-32-10-4-1-7-26(32)27-8-2-5-11-33(27)41/h1-20H
InChIKeyLYDAPQQPKUKGTL-UHFFFAOYSA-N
XLogP9.99
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.67
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122498901
4,8-di(carbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 122498900
9-[2-(3-isocyanocarbazol-9-yl)-8-methyldibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 158890351
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 126754484
9-[6-(3-isocyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 161466628
4-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]dibenzothiophene-2-carbonitrile
CID 122498896
8-(3-isocyanocarbazol-9-yl)-4-(3-methylcarbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 159477530
9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 158327543
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
4-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576052
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile (CID 122501076) is 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2sc3c(-n4c5ccccc5c5cc(C#N)ccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile?
The InChIKey is LYDAPQQPKUKGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4S/c39-21-23-13-15-35-29(17-23)28-9-3-6-12-34(28)42(35)36-20-25(19-31-30-18-24(22-40)14-16-37(30)43-38(31)36)41-32-10-4-1-7-26(32)27-8-2-5-11-33(27)41/h1-20H.
What are the key properties of 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile?
9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile has a molecular weight of 564.67 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 122501076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).