(9-pentylcarbazol-3-yl)-phenylmethanone

C24H23NO — CID 56651356

IUPAC(9-pentylcarbazol-3-yl)-phenylmethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C24H23NO/c1-2-3-9-16-25-22-13-8-7-12-20(22)21-17-19(14-15-23(21)25)24(26)18-10-5-4-6-11-18/h4-8,10-15,17H,2-3,9,16H2,1H3
InChIKeyBRJRXEOBLQQTQY-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.22
Rot. Bonds6

About (9-pentylcarbazol-3-yl)-phenylmethanone

(9-pentylcarbazol-3-yl)-phenylmethanone (PubChem CID 56651356) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (9-pentylcarbazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(9-pentylcarbazol-3-yl)-phenylmethanone
PubChem CID56651356
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(9-pentylcarbazol-3-yl)-phenylmethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C24H23NO/c1-2-3-9-16-25-22-13-8-7-12-20(22)21-17-19(14-15-23(21)25)24(26)18-10-5-4-6-11-18/h4-8,10-15,17H,2-3,9,16H2,1H3
InChIKeyBRJRXEOBLQQTQY-UHFFFAOYSA-N
XLogP6.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
CID 142738622
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219
2-[6-(2-carboxybenzoyl)-9-hexylcarbazole-3-carbonyl]benzoic acid
CID 135031024
benzene;9-octylcarbazole
CID 175067369
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
CID 73348033
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
9-propylcarbazole-3-carbonyl iodide
CID 88957757

Frequently Asked Questions

What is the IUPAC name of (9-pentylcarbazol-3-yl)-phenylmethanone?
The IUPAC name of (9-pentylcarbazol-3-yl)-phenylmethanone (CID 56651356) is (9-pentylcarbazol-3-yl)-phenylmethanone.
What is the SMILES notation for (9-pentylcarbazol-3-yl)-phenylmethanone?
The canonical SMILES for (9-pentylcarbazol-3-yl)-phenylmethanone is CCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of (9-pentylcarbazol-3-yl)-phenylmethanone?
The InChIKey is BRJRXEOBLQQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-2-3-9-16-25-22-13-8-7-12-20(22)21-17-19(14-15-23(21)25)24(26)18-10-5-4-6-11-18/h4-8,10-15,17H,2-3,9,16H2,1H3.
What are the key properties of (9-pentylcarbazol-3-yl)-phenylmethanone?
(9-pentylcarbazol-3-yl)-phenylmethanone has a molecular weight of 341.45 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-pentylcarbazol-3-yl)-phenylmethanone is sourced from PubChem (CID 56651356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).