(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone

C30H25NO2 — CID 174793768

IUPAC(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone
SMILESCCc1cc(C(=O)c2ccccc2)cc2c3cc(C(=O)c4ccccc4)ccc3n(CC)c12
InChIInChI=1S/C30H25NO2/c1-3-20-17-24(30(33)22-13-9-6-10-14-22)19-26-25-18-23(29(32)21-11-7-5-8-12-21)15-16-27(25)31(4-2)28(20)26/h5-19H,3-4H2,1-2H3
InChIKeyKZGWPTYAFUBRRY-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.84
Rot. Bonds6

About (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone

(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone (PubChem CID 174793768) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone
PubChem CID174793768
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone
SMILESCCc1cc(C(=O)c2ccccc2)cc2c3cc(C(=O)c4ccccc4)ccc3n(CC)c12
InChIInChI=1S/C30H25NO2/c1-3-20-17-24(30(33)22-13-9-6-10-14-22)19-26-25-18-23(29(32)21-11-7-5-8-12-21)15-16-27(25)31(4-2)28(20)26/h5-19H,3-4H2,1-2H3
InChIKeyKZGWPTYAFUBRRY-UHFFFAOYSA-N
XLogP6.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone
CID 141383636
[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxoethyl]-dimethylsulfanium
CID 59664419
(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
CID 160533610
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
CID 155432714
[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
CID 142738622

Frequently Asked Questions

What is the IUPAC name of (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone?
The IUPAC name of (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone (CID 174793768) is (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone.
What is the SMILES notation for (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone?
The canonical SMILES for (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone is CCc1cc(C(=O)c2ccccc2)cc2c3cc(C(=O)c4ccccc4)ccc3n(CC)c12.
What is the InChIKey of (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone?
The InChIKey is KZGWPTYAFUBRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO2/c1-3-20-17-24(30(33)22-13-9-6-10-14-22)19-26-25-18-23(29(32)21-11-7-5-8-12-21)15-16-27(25)31(4-2)28(20)26/h5-19H,3-4H2,1-2H3.
What are the key properties of (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone?
(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone has a molecular weight of 431.54 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone is sourced from PubChem (CID 174793768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).