5-hexylindeno[2,1-b]carbazol-7-one

C25H23NO — CID 71062005

IUPAC5-hexylindeno[2,1-b]carbazol-7-one
SMILESCCCCCCn1c2ccccc2c2cc3c(cc21)C(=O)c1ccccc1-3
InChIInChI=1S/C25H23NO/c1-2-3-4-9-14-26-23-13-8-7-11-18(23)21-15-20-17-10-5-6-12-19(17)25(27)22(20)16-24(21)26/h5-8,10-13,15-16H,2-4,9,14H2,1H3
InChIKeyBORBPRNQTRXXJP-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.59
Rot. Bonds5

About 5-hexylindeno[2,1-b]carbazol-7-one

5-hexylindeno[2,1-b]carbazol-7-one (PubChem CID 71062005) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-hexylindeno[2,1-b]carbazol-7-one.

Molecular Properties

Compound Name5-hexylindeno[2,1-b]carbazol-7-one
PubChem CID71062005
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name5-hexylindeno[2,1-b]carbazol-7-one
SMILESCCCCCCn1c2ccccc2c2cc3c(cc21)C(=O)c1ccccc1-3
InChIInChI=1S/C25H23NO/c1-2-3-4-9-14-26-23-13-8-7-11-18(23)21-15-20-17-10-5-6-12-19(17)25(27)22(20)16-24(21)26/h5-8,10-13,15-16H,2-4,9,14H2,1H3
InChIKeyBORBPRNQTRXXJP-UHFFFAOYSA-N
XLogP6.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902
5-ethylindeno[1,2-b]carbazol-11-one
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5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
2-(9-hexylcarbazol-3-yl)-3,4,5-triphenylcyclopenta-2,4-dien-1-one
CID 134884813
9-octylcarbazole-2-carbaldehyde
CID 71623415
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
9-octadecyl-2-octoxycarbazole
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CID 15163810

Frequently Asked Questions

What is the IUPAC name of 5-hexylindeno[2,1-b]carbazol-7-one?
The IUPAC name of 5-hexylindeno[2,1-b]carbazol-7-one (CID 71062005) is 5-hexylindeno[2,1-b]carbazol-7-one.
What is the SMILES notation for 5-hexylindeno[2,1-b]carbazol-7-one?
The canonical SMILES for 5-hexylindeno[2,1-b]carbazol-7-one is CCCCCCn1c2ccccc2c2cc3c(cc21)C(=O)c1ccccc1-3.
What is the InChIKey of 5-hexylindeno[2,1-b]carbazol-7-one?
The InChIKey is BORBPRNQTRXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-2-3-4-9-14-26-23-13-8-7-11-18(23)21-15-20-17-10-5-6-12-19(17)25(27)22(20)16-24(21)26/h5-8,10-13,15-16H,2-4,9,14H2,1H3.
What are the key properties of 5-hexylindeno[2,1-b]carbazol-7-one?
5-hexylindeno[2,1-b]carbazol-7-one has a molecular weight of 353.47 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylindeno[2,1-b]carbazol-7-one is sourced from PubChem (CID 71062005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).