9-octadecyl-2-octoxycarbazole

C38H61NO — CID 15163807

IUPAC9-octadecyl-2-octoxycarbazole
SMILESCCCCCCCCCCCCCCCCCCn1c2ccccc2c2ccc(OCCCCCCCC)cc21
InChIInChI=1S/C38H61NO/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-31-39-37-28-24-23-27-35(37)36-30-29-34(33-38(36)39)40-32-26-22-10-8-6-4-2/h23-24,27-30,33H,3-22,25-26,31-32H2,1-2H3
InChIKeyGCGHBLUJJZRGHS-UHFFFAOYSA-N
MW547.91 g/mol
LogP12.80
Rot. Bonds25

About 9-octadecyl-2-octoxycarbazole

9-octadecyl-2-octoxycarbazole (PubChem CID 15163807) has the molecular formula C38H61NO and a molecular weight of 547.91 g/mol. Its IUPAC name is 9-octadecyl-2-octoxycarbazole.

Molecular Properties

Compound Name9-octadecyl-2-octoxycarbazole
PubChem CID15163807
Molecular FormulaC38H61NO
Molecular Weight547.91 g/mol
Exact Mass547.48
IUPAC Name9-octadecyl-2-octoxycarbazole
SMILESCCCCCCCCCCCCCCCCCCn1c2ccccc2c2ccc(OCCCCCCCC)cc21
InChIInChI=1S/C38H61NO/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-31-39-37-28-24-23-27-35(37)36-30-29-34(33-38(36)39)40-32-26-22-10-8-6-4-2/h23-24,27-30,33H,3-22,25-26,31-32H2,1-2H3
InChIKeyGCGHBLUJJZRGHS-UHFFFAOYSA-N
XLogP12.80
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.91
LogP ≤ 512.80
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
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
3,4-dihydroxy-7-octoxy-1-octylquinolin-2-one
CID 139718130

Frequently Asked Questions

What is the IUPAC name of 9-octadecyl-2-octoxycarbazole?
The IUPAC name of 9-octadecyl-2-octoxycarbazole (CID 15163807) is 9-octadecyl-2-octoxycarbazole.
What is the SMILES notation for 9-octadecyl-2-octoxycarbazole?
The canonical SMILES for 9-octadecyl-2-octoxycarbazole is CCCCCCCCCCCCCCCCCCn1c2ccccc2c2ccc(OCCCCCCCC)cc21.
What is the InChIKey of 9-octadecyl-2-octoxycarbazole?
The InChIKey is GCGHBLUJJZRGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H61NO/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-31-39-37-28-24-23-27-35(37)36-30-29-34(33-38(36)39)40-32-26-22-10-8-6-4-2/h23-24,27-30,33H,3-22,25-26,31-32H2,1-2H3.
What are the key properties of 9-octadecyl-2-octoxycarbazole?
9-octadecyl-2-octoxycarbazole has a molecular weight of 547.91 g/mol, XLogP of 12.80, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octadecyl-2-octoxycarbazole is sourced from PubChem (CID 15163807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).