6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid

C25H21NO2 — CID 10316895

IUPAC6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3c([nH]c2c1)CC(c1ccccc1)C(c1ccccc1)C3
InChIInChI=1S/C25H21NO2/c27-25(28)18-11-12-19-22-14-20(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)15-24(22)26-23(19)13-18/h1-13,20-21,26H,14-15H2,(H,27,28)
InChIKeyJCHYRVMLMVMQAN-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.53
Rot. Bonds3

About 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid

6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid (PubChem CID 10316895) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
PubChem CID10316895
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3c([nH]c2c1)CC(c1ccccc1)C(c1ccccc1)C3
InChIInChI=1S/C25H21NO2/c27-25(28)18-11-12-19-22-14-20(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)15-24(22)26-23(19)13-18/h1-13,20-21,26H,14-15H2,(H,27,28)
InChIKeyJCHYRVMLMVMQAN-UHFFFAOYSA-N
XLogP5.53
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
CID 10332026
[(2S,3R)-2-phenyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]methyl acetate
CID 135035621
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 95426173
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
3-(2-hydroxycyclopropyl)benzoic acid
CID 115015082
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
6H-indolo[3,2-b]quinoxaline-8-carboxylic acid
CID 68570338
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid
CID 83886993

Frequently Asked Questions

What is the IUPAC name of 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
The IUPAC name of 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid (CID 10316895) is 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid.
What is the SMILES notation for 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
The canonical SMILES for 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid is O=C(O)c1ccc2c3c([nH]c2c1)CC(c1ccccc1)C(c1ccccc1)C3.
What is the InChIKey of 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
The InChIKey is JCHYRVMLMVMQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c27-25(28)18-11-12-19-22-14-20(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)15-24(22)26-23(19)13-18/h1-13,20-21,26H,14-15H2,(H,27,28).
What are the key properties of 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid is sourced from PubChem (CID 10316895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).