1-ethenyl-9-heptylcarbazole

C21H25N — CID 162355776

IUPAC1-ethenyl-9-heptylcarbazole
SMILESC=Cc1cccc2c3ccccc3n(CCCCCCC)c12
InChIInChI=1S/C21H25N/c1-3-5-6-7-10-16-22-20-15-9-8-13-18(20)19-14-11-12-17(4-2)21(19)22/h4,8-9,11-15H,2-3,5-7,10,16H2,1H3
InChIKeyNKLBOJQSYNDAJX-UHFFFAOYSA-N
MW291.44 g/mol
LogP6.41
Rot. Bonds7

About 1-ethenyl-9-heptylcarbazole

1-ethenyl-9-heptylcarbazole (PubChem CID 162355776) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-ethenyl-9-heptylcarbazole.

Molecular Properties

Compound Name1-ethenyl-9-heptylcarbazole
PubChem CID162355776
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1-ethenyl-9-heptylcarbazole
SMILESC=Cc1cccc2c3ccccc3n(CCCCCCC)c12
InChIInChI=1S/C21H25N/c1-3-5-6-7-10-16-22-20-15-9-8-13-18(20)19-14-11-12-17(4-2)21(19)22/h4,8-9,11-15H,2-3,5-7,10,16H2,1H3
InChIKeyNKLBOJQSYNDAJX-UHFFFAOYSA-N
XLogP6.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-octylcarbazol-1-ol
CID 160567195
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
1-bromo-9-heptadecylcarbazole
CID 174836685
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
1,2-dibromo-9-hexylcarbazole
CID 141427471
3-ethenyl-1-hexylindole
CID 141093384
9-hexylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373632
15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242711
15-hexadecyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242745
15-octyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242710

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-9-heptylcarbazole?
The IUPAC name of 1-ethenyl-9-heptylcarbazole (CID 162355776) is 1-ethenyl-9-heptylcarbazole.
What is the SMILES notation for 1-ethenyl-9-heptylcarbazole?
The canonical SMILES for 1-ethenyl-9-heptylcarbazole is C=Cc1cccc2c3ccccc3n(CCCCCCC)c12.
What is the InChIKey of 1-ethenyl-9-heptylcarbazole?
The InChIKey is NKLBOJQSYNDAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-3-5-6-7-10-16-22-20-15-9-8-13-18(20)19-14-11-12-17(4-2)21(19)22/h4,8-9,11-15H,2-3,5-7,10,16H2,1H3.
What are the key properties of 1-ethenyl-9-heptylcarbazole?
1-ethenyl-9-heptylcarbazole has a molecular weight of 291.44 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-9-heptylcarbazole is sourced from PubChem (CID 162355776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).