1-(2-ethylhexyl)-1H-benzo[a]carbazole

C24H27N — CID 123864090

IUPAC1-(2-ethylhexyl)-1H-benzo[a]carbazole
SMILESCCCCC(CC)CC1C=CC=c2ccc3c(c21)N=c1ccccc1=3
InChIInChI=1S/C24H27N/c1-3-5-9-17(4-2)16-19-11-8-10-18-14-15-21-20-12-6-7-13-22(20)25-24(21)23(18)19/h6-8,10-15,17,19H,3-5,9,16H2,1-2H3
InChIKeyDSEBSXMMSAQYFS-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.28
Rot. Bonds6

About 1-(2-ethylhexyl)-1H-benzo[a]carbazole

1-(2-ethylhexyl)-1H-benzo[a]carbazole (PubChem CID 123864090) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-1H-benzo[a]carbazole.

Molecular Properties

Compound Name1-(2-ethylhexyl)-1H-benzo[a]carbazole
PubChem CID123864090
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name1-(2-ethylhexyl)-1H-benzo[a]carbazole
SMILESCCCCC(CC)CC1C=CC=c2ccc3c(c21)N=c1ccccc1=3
InChIInChI=1S/C24H27N/c1-3-5-9-17(4-2)16-19-11-8-10-18-14-15-21-20-12-6-7-13-22(20)25-24(21)23(18)19/h6-8,10-15,17,19H,3-5,9,16H2,1-2H3
InChIKeyDSEBSXMMSAQYFS-UHFFFAOYSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-1H-benzo[a]carbazole?
The IUPAC name of 1-(2-ethylhexyl)-1H-benzo[a]carbazole (CID 123864090) is 1-(2-ethylhexyl)-1H-benzo[a]carbazole.
What is the SMILES notation for 1-(2-ethylhexyl)-1H-benzo[a]carbazole?
The canonical SMILES for 1-(2-ethylhexyl)-1H-benzo[a]carbazole is CCCCC(CC)CC1C=CC=c2ccc3c(c21)N=c1ccccc1=3.
What is the InChIKey of 1-(2-ethylhexyl)-1H-benzo[a]carbazole?
The InChIKey is DSEBSXMMSAQYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-3-5-9-17(4-2)16-19-11-8-10-18-14-15-21-20-12-6-7-13-22(20)25-24(21)23(18)19/h6-8,10-15,17,19H,3-5,9,16H2,1-2H3.
What are the key properties of 1-(2-ethylhexyl)-1H-benzo[a]carbazole?
1-(2-ethylhexyl)-1H-benzo[a]carbazole has a molecular weight of 329.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-1H-benzo[a]carbazole is sourced from PubChem (CID 123864090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).