1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone

C30H21N3O — CID 174779450

IUPAC1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
SMILESCC(=O)n1c2cc(-c3c[nH]c4ccccc34)ccc2c2ccc(-c3c[nH]c4ccccc34)cc21
InChIInChI=1S/C30H21N3O/c1-18(34)33-29-14-19(25-16-31-27-8-4-2-6-21(25)27)10-12-23(29)24-13-11-20(15-30(24)33)26-17-32-28-9-5-3-7-22(26)28/h2-17,31-32H,1H3
InChIKeyUEEKKULVMGKRJY-UHFFFAOYSA-N
MW439.52 g/mol
LogP7.75
Rot. Bonds2

About 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone

1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone (PubChem CID 174779450) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone.

Molecular Properties

Compound Name1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
PubChem CID174779450
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
SMILESCC(=O)n1c2cc(-c3c[nH]c4ccccc34)ccc2c2ccc(-c3c[nH]c4ccccc34)cc21
InChIInChI=1S/C30H21N3O/c1-18(34)33-29-14-19(25-16-31-27-8-4-2-6-21(25)27)10-12-23(29)24-13-11-20(15-30(24)33)26-17-32-28-9-5-3-7-22(26)28/h2-17,31-32H,1H3
InChIKeyUEEKKULVMGKRJY-UHFFFAOYSA-N
XLogP7.75
TPSA53.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
2-[6-(1H-indol-3-yl)benzotriazol-1-yl]acetic acid
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1-carbazol-9-ylethanone;ethane
CID 142183368
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
N-hydroxy-7-(1H-indol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055322
methane;3-phenyl-1H-indole
CID 167711687
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
3-(1H-indol-3-yl)aniline
CID 82395331
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate
CID 175548904
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide
CID 131952895

Frequently Asked Questions

What is the IUPAC name of 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone?
The IUPAC name of 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone (CID 174779450) is 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone.
What is the SMILES notation for 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone?
The canonical SMILES for 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone is CC(=O)n1c2cc(-c3c[nH]c4ccccc34)ccc2c2ccc(-c3c[nH]c4ccccc34)cc21.
What is the InChIKey of 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone?
The InChIKey is UEEKKULVMGKRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c1-18(34)33-29-14-19(25-16-31-27-8-4-2-6-21(25)27)10-12-23(29)24-13-11-20(15-30(24)33)26-17-32-28-9-5-3-7-22(26)28/h2-17,31-32H,1H3.
What are the key properties of 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone?
1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone has a molecular weight of 439.52 g/mol, XLogP of 7.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone is sourced from PubChem (CID 174779450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).