1-undecan-2-yl-9H-carbazole

C23H31N — CID 173176720

IUPAC1-undecan-2-yl-9H-carbazole
SMILESCCCCCCCCCC(C)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C23H31N/c1-3-4-5-6-7-8-9-13-18(2)19-15-12-16-21-20-14-10-11-17-22(20)24-23(19)21/h10-12,14-18,24H,3-9,13H2,1-2H3
InChIKeyBQDWUUSOOWCXBP-UHFFFAOYSA-N
MW321.51 g/mol
LogP7.57
Rot. Bonds9

About 1-undecan-2-yl-9H-carbazole

1-undecan-2-yl-9H-carbazole (PubChem CID 173176720) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-undecan-2-yl-9H-carbazole.

Molecular Properties

Compound Name1-undecan-2-yl-9H-carbazole
PubChem CID173176720
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name1-undecan-2-yl-9H-carbazole
SMILESCCCCCCCCCC(C)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C23H31N/c1-3-4-5-6-7-8-9-13-18(2)19-15-12-16-21-20-14-10-11-17-22(20)24-23(19)21/h10-12,14-18,24H,3-9,13H2,1-2H3
InChIKeyBQDWUUSOOWCXBP-UHFFFAOYSA-N
XLogP7.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-heptadecan-9-yl-9H-carbazole
CID 132513625
4-octan-2-yl-1H-indole
CID 130223302
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole
CID 142667367
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
1-nonyl-9H-carbazole
CID 66872642
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
3-undecan-2-ylbenzene-1,2-diol
CID 139758320
3-hexan-2-yl-1H-indol-2-amine
CID 151629359
1-bromo-2-heptan-2-ylbenzene
CID 59216916
3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine
CID 57008609

Frequently Asked Questions

What is the IUPAC name of 1-undecan-2-yl-9H-carbazole?
The IUPAC name of 1-undecan-2-yl-9H-carbazole (CID 173176720) is 1-undecan-2-yl-9H-carbazole.
What is the SMILES notation for 1-undecan-2-yl-9H-carbazole?
The canonical SMILES for 1-undecan-2-yl-9H-carbazole is CCCCCCCCCC(C)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-undecan-2-yl-9H-carbazole?
The InChIKey is BQDWUUSOOWCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-3-4-5-6-7-8-9-13-18(2)19-15-12-16-21-20-14-10-11-17-22(20)24-23(19)21/h10-12,14-18,24H,3-9,13H2,1-2H3.
What are the key properties of 1-undecan-2-yl-9H-carbazole?
1-undecan-2-yl-9H-carbazole has a molecular weight of 321.51 g/mol, XLogP of 7.57, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecan-2-yl-9H-carbazole is sourced from PubChem (CID 173176720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).