11-(2-methylhexyl)benzo[a]carbazole

C23H25N — CID 170243502

IUPAC11-(2-methylhexyl)benzo[a]carbazole
SMILESCCCCC(C)Cn1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C23H25N/c1-3-4-9-17(2)16-24-22-13-8-7-12-20(22)21-15-14-18-10-5-6-11-19(18)23(21)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyGQZXRDOHBAHFQE-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.77
Rot. Bonds5

About 11-(2-methylhexyl)benzo[a]carbazole

11-(2-methylhexyl)benzo[a]carbazole (PubChem CID 170243502) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 11-(2-methylhexyl)benzo[a]carbazole.

Molecular Properties

Compound Name11-(2-methylhexyl)benzo[a]carbazole
PubChem CID170243502
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name11-(2-methylhexyl)benzo[a]carbazole
SMILESCCCCC(C)Cn1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C23H25N/c1-3-4-9-17(2)16-24-22-13-8-7-12-20(22)21-15-14-18-10-5-6-11-19(18)23(21)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyGQZXRDOHBAHFQE-UHFFFAOYSA-N
XLogP6.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-(2-methylhexyl)benzo[a]carbazole?
The IUPAC name of 11-(2-methylhexyl)benzo[a]carbazole (CID 170243502) is 11-(2-methylhexyl)benzo[a]carbazole.
What is the SMILES notation for 11-(2-methylhexyl)benzo[a]carbazole?
The canonical SMILES for 11-(2-methylhexyl)benzo[a]carbazole is CCCCC(C)Cn1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 11-(2-methylhexyl)benzo[a]carbazole?
The InChIKey is GQZXRDOHBAHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-3-4-9-17(2)16-24-22-13-8-7-12-20(22)21-15-14-18-10-5-6-11-19(18)23(21)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3.
What are the key properties of 11-(2-methylhexyl)benzo[a]carbazole?
11-(2-methylhexyl)benzo[a]carbazole has a molecular weight of 315.46 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylhexyl)benzo[a]carbazole is sourced from PubChem (CID 170243502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).