3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile

C43H25N3S — CID 126577608

IUPAC3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H25N3S/c44-26-27-18-20-30(40(24-27)46-36-15-7-4-12-31(36)32-13-5-8-16-37(32)46)28-19-22-38-35(25-28)42-39(45(38)29-10-2-1-3-11-29)23-21-34-33-14-6-9-17-41(33)47-43(34)42/h1-25H
InChIKeyWJULNNPJPIOMGE-UHFFFAOYSA-N
MW615.76 g/mol
LogP11.79
Rot. Bonds3

About 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile

3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile (PubChem CID 126577608) has the molecular formula C43H25N3S and a molecular weight of 615.76 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile
PubChem CID126577608
Molecular FormulaC43H25N3S
Molecular Weight615.76 g/mol
Exact Mass615.18
IUPAC Name3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H25N3S/c44-26-27-18-20-30(40(24-27)46-36-15-7-4-12-31(36)32-13-5-8-16-37(32)46)28-19-22-38-35(25-28)42-39(45(38)29-10-2-1-3-11-29)23-21-34-33-14-6-9-17-41(33)47-43(34)42/h1-25H
InChIKeyWJULNNPJPIOMGE-UHFFFAOYSA-N
XLogP11.79
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.76
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 129300380
3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 126577540
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(8-methanimidoyldibenzofuran-2-yl)benzonitrile
CID 126596638
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
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-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 129300030
3-(3-isocyanocarbazol-9-yl)-4-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)benzonitrile
CID 153462829
3-carbazol-9-yl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)aniline
CID 165023342
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 126729166
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160765349

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile (CID 126577608) is 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile?
The InChIKey is WJULNNPJPIOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3S/c44-26-27-18-20-30(40(24-27)46-36-15-7-4-12-31(36)32-13-5-8-16-37(32)46)28-19-22-38-35(25-28)42-39(45(38)29-10-2-1-3-11-29)23-21-34-33-14-6-9-17-41(33)47-43(34)42/h1-25H.
What are the key properties of 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile?
3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile has a molecular weight of 615.76 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile is sourced from PubChem (CID 126577608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).