9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole

C18H16ClN — CID 812920

IUPAC9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
SMILESClc1ccc(-n2c3c(c4ccccc42)CCCC3)cc1
InChIInChI=1S/C18H16ClN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1,3,5,7,9-12H,2,4,6,8H2
InChIKeyGSRWYCNDIKDQCA-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.16
Rot. Bonds1

About 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole

9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole (PubChem CID 812920) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
PubChem CID812920
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
SMILESClc1ccc(-n2c3c(c4ccccc42)CCCC3)cc1
InChIInChI=1S/C18H16ClN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1,3,5,7,9-12H,2,4,6,8H2
InChIKeyGSRWYCNDIKDQCA-UHFFFAOYSA-N
XLogP5.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-(4-chlorophenyl)-1,2,3,4-tetrahydroacridin-9-one
CID 165354564
4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
CID 69192503
4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341
5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
CID 58663550
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 58663485
5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole
CID 90055319
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
2-(4-chlorophenyl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 23831300
14-(3-carbazol-9-ylphenyl)-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055350
N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide
CID 132533900
9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole
CID 59643859

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole (CID 812920) is 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole is Clc1ccc(-n2c3c(c4ccccc42)CCCC3)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole?
The InChIKey is GSRWYCNDIKDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1,3,5,7,9-12H,2,4,6,8H2.
What are the key properties of 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole?
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole has a molecular weight of 281.79 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 812920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).