9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole

C31H47N — CID 134388506

IUPAC9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
SMILESCCCCC(CC)Cn1c2ccc(C(C)(C)CC)cc2c2cc(C(C)(C)CCC)ccc21
InChIInChI=1S/C31H47N/c1-9-13-14-23(11-3)22-32-28-17-15-24(30(5,6)12-4)20-26(28)27-21-25(16-18-29(27)32)31(7,8)19-10-2/h15-18,20-21,23H,9-14,19,22H2,1-8H3
InChIKeyKMDSLKSYIXEZPM-UHFFFAOYSA-N
MW433.72 g/mol
LogP9.78
Rot. Bonds11

About 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole

9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole (PubChem CID 134388506) has the molecular formula C31H47N and a molecular weight of 433.72 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole.

Molecular Properties

Compound Name9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
PubChem CID134388506
Molecular FormulaC31H47N
Molecular Weight433.72 g/mol
Exact Mass433.37
IUPAC Name9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
SMILESCCCCC(CC)Cn1c2ccc(C(C)(C)CC)cc2c2cc(C(C)(C)CCC)ccc21
InChIInChI=1S/C31H47N/c1-9-13-14-23(11-3)22-32-28-17-15-24(30(5,6)12-4)20-26(28)27-21-25(16-18-29(27)32)31(7,8)19-10-2/h15-18,20-21,23H,9-14,19,22H2,1-8H3
InChIKeyKMDSLKSYIXEZPM-UHFFFAOYSA-N
XLogP9.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole 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 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
The IUPAC name of 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole (CID 134388506) is 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole.
What is the SMILES notation for 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
The canonical SMILES for 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole is CCCCC(CC)Cn1c2ccc(C(C)(C)CC)cc2c2cc(C(C)(C)CCC)ccc21.
What is the InChIKey of 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
The InChIKey is KMDSLKSYIXEZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N/c1-9-13-14-23(11-3)22-32-28-17-15-24(30(5,6)12-4)20-26(28)27-21-25(16-18-29(27)32)31(7,8)19-10-2/h15-18,20-21,23H,9-14,19,22H2,1-8H3.
What are the key properties of 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole has a molecular weight of 433.72 g/mol, XLogP of 9.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole is sourced from PubChem (CID 134388506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).