2-dodecoxy-9-dodecylcarbazole

C36H57NO — CID 15163810

IUPAC2-dodecoxy-9-dodecylcarbazole
SMILESCCCCCCCCCCCCOc1ccc2c3ccccc3n(CCCCCCCCCCCC)c2c1
InChIInChI=1S/C36H57NO/c1-3-5-7-9-11-13-15-17-19-23-29-37-35-26-22-21-25-33(35)34-28-27-32(31-36(34)37)38-30-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-28,31H,3-20,23-24,29-30H2,1-2H3
InChIKeyRZAWKIPGUHUNBR-UHFFFAOYSA-N
MW519.86 g/mol
LogP12.02
Rot. Bonds23

About 2-dodecoxy-9-dodecylcarbazole

2-dodecoxy-9-dodecylcarbazole (PubChem CID 15163810) has the molecular formula C36H57NO and a molecular weight of 519.86 g/mol. Its IUPAC name is 2-dodecoxy-9-dodecylcarbazole.

Molecular Properties

Compound Name2-dodecoxy-9-dodecylcarbazole
PubChem CID15163810
Molecular FormulaC36H57NO
Molecular Weight519.86 g/mol
Exact Mass519.44
IUPAC Name2-dodecoxy-9-dodecylcarbazole
SMILESCCCCCCCCCCCCOc1ccc2c3ccccc3n(CCCCCCCCCCCC)c2c1
InChIInChI=1S/C36H57NO/c1-3-5-7-9-11-13-15-17-19-23-29-37-35-26-22-21-25-33(35)34-28-27-32(31-36(34)37)38-30-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-28,31H,3-20,23-24,29-30H2,1-2H3
InChIKeyRZAWKIPGUHUNBR-UHFFFAOYSA-N
XLogP12.02
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.86
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dodecoxy-9-dodecylcarbazole 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-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
N,N-dimethyl-2-(9-octylcarbazol-2-yl)oxyethanamine
CID 56676367
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole
CID 56673053
tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate
CID 56659253
bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
benzene;9-octylcarbazole
CID 175067369
7-hexoxy-9-[6-(7-hexoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539520
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
1-hexyl-3,4-dihydroxy-7-octoxyquinolin-2-one
CID 139718059

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxy-9-dodecylcarbazole?
The IUPAC name of 2-dodecoxy-9-dodecylcarbazole (CID 15163810) is 2-dodecoxy-9-dodecylcarbazole.
What is the SMILES notation for 2-dodecoxy-9-dodecylcarbazole?
The canonical SMILES for 2-dodecoxy-9-dodecylcarbazole is CCCCCCCCCCCCOc1ccc2c3ccccc3n(CCCCCCCCCCCC)c2c1.
What is the InChIKey of 2-dodecoxy-9-dodecylcarbazole?
The InChIKey is RZAWKIPGUHUNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57NO/c1-3-5-7-9-11-13-15-17-19-23-29-37-35-26-22-21-25-33(35)34-28-27-32(31-36(34)37)38-30-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-28,31H,3-20,23-24,29-30H2,1-2H3.
What are the key properties of 2-dodecoxy-9-dodecylcarbazole?
2-dodecoxy-9-dodecylcarbazole has a molecular weight of 519.86 g/mol, XLogP of 12.02, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-9-dodecylcarbazole is sourced from PubChem (CID 15163810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).