[11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone

C41H40FNO2 — CID 67130099

IUPAC[11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone
SMILESCCCCC(CC)Cn1c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2c2cc(C(=O)c3ccc(F)cc3)c3ccccc3c21
InChIInChI=1S/C41H40FNO2/c1-6-8-11-28(7-2)24-43-37-19-16-30(41(45)38-26(4)20-25(3)21-27(38)5)22-34(37)35-23-36(32-12-9-10-13-33(32)39(35)43)40(44)29-14-17-31(42)18-15-29/h9-10,12-23,28H,6-8,11,24H2,1-5H3
InChIKeyMJKRLSMXTPUNFV-UHFFFAOYSA-N
MW597.77 g/mol
LogP10.69
Rot. Bonds10

About [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone

[11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone (PubChem CID 67130099) has the molecular formula C41H40FNO2 and a molecular weight of 597.77 g/mol. Its IUPAC name is [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone
PubChem CID67130099
Molecular FormulaC41H40FNO2
Molecular Weight597.77 g/mol
Exact Mass597.30
IUPAC Name[11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone
SMILESCCCCC(CC)Cn1c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2c2cc(C(=O)c3ccc(F)cc3)c3ccccc3c21
InChIInChI=1S/C41H40FNO2/c1-6-8-11-28(7-2)24-43-37-19-16-30(41(45)38-26(4)20-25(3)21-27(38)5)22-34(37)35-23-36(32-12-9-10-13-33(32)39(35)43)40(44)29-14-17-31(42)18-15-29/h9-10,12-23,28H,6-8,11,24H2,1-5H3
InChIKeyMJKRLSMXTPUNFV-UHFFFAOYSA-N
XLogP10.69
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.77
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone (CID 67130099) is [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone is CCCCC(CC)Cn1c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2c2cc(C(=O)c3ccc(F)cc3)c3ccccc3c21.
What is the InChIKey of [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is MJKRLSMXTPUNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40FNO2/c1-6-8-11-28(7-2)24-43-37-19-16-30(41(45)38-26(4)20-25(3)21-27(38)5)22-34(37)35-23-36(32-12-9-10-13-33(32)39(35)43)40(44)29-14-17-31(42)18-15-29/h9-10,12-23,28H,6-8,11,24H2,1-5H3.
What are the key properties of [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone?
[11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 597.77 g/mol, XLogP of 10.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(2-ethylhexyl)-8-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67130099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).