11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde

C34H29F4NO3 — CID 87281131

IUPAC11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde
SMILESO=Cc1cc2c3cc(C(=O)c4ccccc4OCC(F)(F)C(F)F)ccc3n(CC3CCCCC3)c2c2ccccc12
InChIInChI=1S/C34H29F4NO3/c35-33(36)34(37,38)20-42-30-13-7-6-12-26(30)32(41)22-14-15-29-27(16-22)28-17-23(19-40)24-10-4-5-11-25(24)31(28)39(29)18-21-8-2-1-3-9-21/h4-7,10-17,19,21,33H,1-3,8-9,18,20H2
InChIKeyVZXJRDVNYWGIQS-UHFFFAOYSA-N
MW575.60 g/mol
LogP8.85
Rot. Bonds9

About 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde

11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde (PubChem CID 87281131) has the molecular formula C34H29F4NO3 and a molecular weight of 575.60 g/mol. Its IUPAC name is 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde.

Molecular Properties

Compound Name11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde
PubChem CID87281131
Molecular FormulaC34H29F4NO3
Molecular Weight575.60 g/mol
Exact Mass575.21
IUPAC Name11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde
SMILESO=Cc1cc2c3cc(C(=O)c4ccccc4OCC(F)(F)C(F)F)ccc3n(CC3CCCCC3)c2c2ccccc12
InChIInChI=1S/C34H29F4NO3/c35-33(36)34(37,38)20-42-30-13-7-6-12-26(30)32(41)22-14-15-29-27(16-22)28-17-23(19-40)24-10-4-5-11-25(24)31(28)39(29)18-21-8-2-1-3-9-21/h4-7,10-17,19,21,33H,1-3,8-9,18,20H2
InChIKeyVZXJRDVNYWGIQS-UHFFFAOYSA-N
XLogP8.85
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.60
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde 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-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde?
The IUPAC name of 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde (CID 87281131) is 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde.
What is the SMILES notation for 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde?
The canonical SMILES for 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde is O=Cc1cc2c3cc(C(=O)c4ccccc4OCC(F)(F)C(F)F)ccc3n(CC3CCCCC3)c2c2ccccc12.
What is the InChIKey of 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde?
The InChIKey is VZXJRDVNYWGIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F4NO3/c35-33(36)34(37,38)20-42-30-13-7-6-12-26(30)32(41)22-14-15-29-27(16-22)28-17-23(19-40)24-10-4-5-11-25(24)31(28)39(29)18-21-8-2-1-3-9-21/h4-7,10-17,19,21,33H,1-3,8-9,18,20H2.
What are the key properties of 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde?
11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde has a molecular weight of 575.60 g/mol, XLogP of 8.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(cyclohexylmethyl)-8-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazole-5-carbaldehyde is sourced from PubChem (CID 87281131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).