2-octoxy-9-octylcarbazole

C28H41NO — CID 15163804

IUPAC2-octoxy-9-octylcarbazole
SMILESCCCCCCCCOc1ccc2c3ccccc3n(CCCCCCCC)c2c1
InChIInChI=1S/C28H41NO/c1-3-5-7-9-11-15-21-29-27-18-14-13-17-25(27)26-20-19-24(23-28(26)29)30-22-16-12-10-8-6-4-2/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3
InChIKeyJFJNXDRQGWMXJR-UHFFFAOYSA-N
MW407.64 g/mol
LogP8.89
Rot. Bonds15

About 2-octoxy-9-octylcarbazole

2-octoxy-9-octylcarbazole (PubChem CID 15163804) has the molecular formula C28H41NO and a molecular weight of 407.64 g/mol. Its IUPAC name is 2-octoxy-9-octylcarbazole.

Molecular Properties

Compound Name2-octoxy-9-octylcarbazole
PubChem CID15163804
Molecular FormulaC28H41NO
Molecular Weight407.64 g/mol
Exact Mass407.32
IUPAC Name2-octoxy-9-octylcarbazole
SMILESCCCCCCCCOc1ccc2c3ccccc3n(CCCCCCCC)c2c1
InChIInChI=1S/C28H41NO/c1-3-5-7-9-11-15-21-29-27-18-14-13-17-25(27)26-20-19-24(23-28(26)29)30-22-16-12-10-8-6-4-2/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3
InChIKeyJFJNXDRQGWMXJR-UHFFFAOYSA-N
XLogP8.89
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 58.89
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

2-dodecoxy-9-dodecylcarbazole
CID 15163810
9-octadecyl-2-octoxycarbazole
CID 15163807
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
3,4-dihydroxy-7-octoxy-1-octylquinolin-2-one
CID 139718130

Frequently Asked Questions

What is the IUPAC name of 2-octoxy-9-octylcarbazole?
The IUPAC name of 2-octoxy-9-octylcarbazole (CID 15163804) is 2-octoxy-9-octylcarbazole.
What is the SMILES notation for 2-octoxy-9-octylcarbazole?
The canonical SMILES for 2-octoxy-9-octylcarbazole is CCCCCCCCOc1ccc2c3ccccc3n(CCCCCCCC)c2c1.
What is the InChIKey of 2-octoxy-9-octylcarbazole?
The InChIKey is JFJNXDRQGWMXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO/c1-3-5-7-9-11-15-21-29-27-18-14-13-17-25(27)26-20-19-24(23-28(26)29)30-22-16-12-10-8-6-4-2/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3.
What are the key properties of 2-octoxy-9-octylcarbazole?
2-octoxy-9-octylcarbazole has a molecular weight of 407.64 g/mol, XLogP of 8.89, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxy-9-octylcarbazole is sourced from PubChem (CID 15163804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).