[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone

C25H24BrNO — CID 142738622

IUPAC[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)c1ccccc1n2CCCCCCBr
InChIInChI=1S/C25H24BrNO/c26-16-8-1-2-9-17-27-23-13-7-6-12-21(23)22-18-20(14-15-24(22)27)25(28)19-10-4-3-5-11-19/h3-7,10-15,18H,1-2,8-9,16-17H2
InChIKeyZMPZOBLGIFKIOH-UHFFFAOYSA-N
MW434.38 g/mol
LogP6.98
Rot. Bonds8

About [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone

[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone (PubChem CID 142738622) has the molecular formula C25H24BrNO and a molecular weight of 434.38 g/mol. Its IUPAC name is [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
PubChem CID142738622
Molecular FormulaC25H24BrNO
Molecular Weight434.38 g/mol
Exact Mass433.10
IUPAC Name[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)c1ccccc1n2CCCCCCBr
InChIInChI=1S/C25H24BrNO/c26-16-8-1-2-9-17-27-23-13-7-6-12-21(23)22-18-20(14-15-24(22)27)25(28)19-10-4-3-5-11-19/h3-7,10-15,18H,1-2,8-9,16-17H2
InChIKeyZMPZOBLGIFKIOH-UHFFFAOYSA-N
XLogP6.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
CID 141391758
2-[6-(2-carboxybenzoyl)-9-hexylcarbazole-3-carbonyl]benzoic acid
CID 135031024
1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone
CID 58544922
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872

Frequently Asked Questions

What is the IUPAC name of [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone?
The IUPAC name of [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone (CID 142738622) is [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone.
What is the SMILES notation for [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone?
The canonical SMILES for [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc2c(c1)c1ccccc1n2CCCCCCBr.
What is the InChIKey of [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone?
The InChIKey is ZMPZOBLGIFKIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrNO/c26-16-8-1-2-9-17-27-23-13-7-6-12-21(23)22-18-20(14-15-24(22)27)25(28)19-10-4-3-5-11-19/h3-7,10-15,18H,1-2,8-9,16-17H2.
What are the key properties of [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone?
[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone has a molecular weight of 434.38 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone is sourced from PubChem (CID 142738622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).