9-docosylcarbazole

C34H53N — CID 10528568

IUPAC9-docosylcarbazole
SMILESCCCCCCCCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30-35-33-28-23-21-26-31(33)32-27-22-24-29-34(32)35/h21-24,26-29H,2-20,25,30H2,1H3
InChIKeyZXMPSCHNJHJRJI-UHFFFAOYSA-N
MW475.81 g/mol
LogP11.62
Rot. Bonds21

About 9-docosylcarbazole

9-docosylcarbazole (PubChem CID 10528568) has the molecular formula C34H53N and a molecular weight of 475.81 g/mol. Its IUPAC name is 9-docosylcarbazole.

Molecular Properties

Compound Name9-docosylcarbazole
PubChem CID10528568
Molecular FormulaC34H53N
Molecular Weight475.81 g/mol
Exact Mass475.42
IUPAC Name9-docosylcarbazole
SMILESCCCCCCCCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30-35-33-28-23-21-26-31(33)32-27-22-24-29-34(32)35/h21-24,26-29H,2-20,25,30H2,1H3
InChIKeyZXMPSCHNJHJRJI-UHFFFAOYSA-N
XLogP11.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-docosylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-hexadecylcarbazole
CID 4166588
benzene;9-octylcarbazole
CID 175067369
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
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
(9-dodecylcarbazol-3-yl)methanol
CID 151995019
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
9-octylcarbazol-1-ol
CID 160567195
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
1-bromo-9-heptadecylcarbazole
CID 174836685
9-octylcarbazole-2-carbaldehyde
CID 71623415
2-dodecoxy-9-dodecylcarbazole
CID 15163810
2-octoxy-9-octylcarbazole
CID 15163804

Frequently Asked Questions

What is the IUPAC name of 9-docosylcarbazole?
The IUPAC name of 9-docosylcarbazole (CID 10528568) is 9-docosylcarbazole.
What is the SMILES notation for 9-docosylcarbazole?
The canonical SMILES for 9-docosylcarbazole is CCCCCCCCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-docosylcarbazole?
The InChIKey is ZXMPSCHNJHJRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30-35-33-28-23-21-26-31(33)32-27-22-24-29-34(32)35/h21-24,26-29H,2-20,25,30H2,1H3.
What are the key properties of 9-docosylcarbazole?
9-docosylcarbazole has a molecular weight of 475.81 g/mol, XLogP of 11.62, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-docosylcarbazole is sourced from PubChem (CID 10528568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).