5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole

C29H40F3N — CID 139448067

IUPAC5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole
SMILESCCCCCCCC(CCCCCCC)n1c2cc(C(F)(F)F)ccc2c2c(C)cccc21
InChIInChI=1S/C29H40F3N/c1-4-6-8-10-12-16-24(17-13-11-9-7-5-2)33-26-18-14-15-22(3)28(26)25-20-19-23(21-27(25)33)29(30,31)32/h14-15,18-21,24H,4-13,16-17H2,1-3H3
InChIKeyAZCODOHNBIDPCP-UHFFFAOYSA-N
MW459.64 g/mol
LogP10.38
Rot. Bonds13

About 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole

5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole (PubChem CID 139448067) has the molecular formula C29H40F3N and a molecular weight of 459.64 g/mol. Its IUPAC name is 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole
PubChem CID139448067
Molecular FormulaC29H40F3N
Molecular Weight459.64 g/mol
Exact Mass459.31
IUPAC Name5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole
SMILESCCCCCCCC(CCCCCCC)n1c2cc(C(F)(F)F)ccc2c2c(C)cccc21
InChIInChI=1S/C29H40F3N/c1-4-6-8-10-12-16-24(17-13-11-9-7-5-2)33-26-18-14-15-22(3)28(26)25-20-19-23(21-27(25)33)29(30,31)32/h14-15,18-21,24H,4-13,16-17H2,1-3H3
InChIKeyAZCODOHNBIDPCP-UHFFFAOYSA-N
XLogP10.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
9-butan-2-yl-2-(trifluoromethyl)carbazole
CID 139447892
5,10-di(heptadecan-9-yl)indolo[3,2-b]indole
CID 121344575
1-fluoro-9-tetradecan-7-ylcarbazole
CID 139448089
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
CID 102758491
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431
5,12-di(octan-3-yl)quinolino[2,3-b]acridine-7,14-dione
CID 59480571
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
1-icosan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 174732520
5,6-difluoro-4-[5-(5-octoxy-9-pentacosan-13-ylcarbazol-2-yl)thiophen-2-yl]-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 122217084

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole?
The IUPAC name of 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole (CID 139448067) is 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole?
The canonical SMILES for 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole is CCCCCCCC(CCCCCCC)n1c2cc(C(F)(F)F)ccc2c2c(C)cccc21.
What is the InChIKey of 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole?
The InChIKey is AZCODOHNBIDPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40F3N/c1-4-6-8-10-12-16-24(17-13-11-9-7-5-2)33-26-18-14-15-22(3)28(26)25-20-19-23(21-27(25)33)29(30,31)32/h14-15,18-21,24H,4-13,16-17H2,1-3H3.
What are the key properties of 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole?
5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole has a molecular weight of 459.64 g/mol, XLogP of 10.38, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 139448067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).