4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile

C19H16N2 — CID 69192503

IUPAC4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3c(c4ccccc42)CCCC3)cc1
InChIInChI=1S/C19H16N2/c20-13-14-9-11-15(12-10-14)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1,3,5,7,9-12H,2,4,6,8H2
InChIKeyRFMFKUQTRJOZMO-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.38
Rot. Bonds1

About 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile

4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile (PubChem CID 69192503) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
PubChem CID69192503
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3c(c4ccccc42)CCCC3)cc1
InChIInChI=1S/C19H16N2/c20-13-14-9-11-15(12-10-14)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1,3,5,7,9-12H,2,4,6,8H2
InChIKeyRFMFKUQTRJOZMO-UHFFFAOYSA-N
XLogP4.38
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
10-(4-chlorophenyl)-1,2,3,4-tetrahydroacridin-9-one
CID 165354564
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole
CID 90055319
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile
CID 125469950
4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile
CID 89018423

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile?
The IUPAC name of 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile (CID 69192503) is 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile is N#Cc1ccc(-n2c3c(c4ccccc42)CCCC3)cc1.
What is the InChIKey of 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile?
The InChIKey is RFMFKUQTRJOZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c20-13-14-9-11-15(12-10-14)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1,3,5,7,9-12H,2,4,6,8H2.
What are the key properties of 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile?
4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile has a molecular weight of 272.35 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile is sourced from PubChem (CID 69192503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).