1-(2-octoxyphenyl)-9H-carbazole

C26H29NO — CID 174629986

IUPAC1-(2-octoxyphenyl)-9H-carbazole
SMILESCCCCCCCCOc1ccccc1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C26H29NO/c1-2-3-4-5-6-11-19-28-25-18-10-8-14-21(25)23-16-12-15-22-20-13-7-9-17-24(20)27-26(22)23/h7-10,12-18,27H,2-6,11,19H2,1H3
InChIKeyPVAVSDDYTRFEMV-UHFFFAOYSA-N
MW371.52 g/mol
LogP7.73
Rot. Bonds9

About 1-(2-octoxyphenyl)-9H-carbazole

1-(2-octoxyphenyl)-9H-carbazole (PubChem CID 174629986) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-(2-octoxyphenyl)-9H-carbazole.

Molecular Properties

Compound Name1-(2-octoxyphenyl)-9H-carbazole
PubChem CID174629986
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name1-(2-octoxyphenyl)-9H-carbazole
SMILESCCCCCCCCOc1ccccc1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C26H29NO/c1-2-3-4-5-6-11-19-28-25-18-10-8-14-21(25)23-16-12-15-22-20-13-7-9-17-24(20)27-26(22)23/h7-10,12-18,27H,2-6,11,19H2,1H3
InChIKeyPVAVSDDYTRFEMV-UHFFFAOYSA-N
XLogP7.73
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-9H-carbazole
CID 175136892
1-(4-hexoxyphenyl)-9H-carbazole
CID 141338057
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-nonyl-9H-carbazole
CID 66872642
1-octadecoxy-2-phenylbenzene
CID 70983974
1,2,3-tridodecoxybenzene
CID 11308140
1,4-didodecoxynaphthalene
CID 21304164
1,2,3-trihexadecoxybenzene
CID 15518170
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91023938
butoxy(9H-carbazol-1-yloxy)borinic acid
CID 174896915
1,5,9,10-tetra(tridecoxy)anthracene
CID 139930203

Frequently Asked Questions

What is the IUPAC name of 1-(2-octoxyphenyl)-9H-carbazole?
The IUPAC name of 1-(2-octoxyphenyl)-9H-carbazole (CID 174629986) is 1-(2-octoxyphenyl)-9H-carbazole.
What is the SMILES notation for 1-(2-octoxyphenyl)-9H-carbazole?
The canonical SMILES for 1-(2-octoxyphenyl)-9H-carbazole is CCCCCCCCOc1ccccc1-c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-octoxyphenyl)-9H-carbazole?
The InChIKey is PVAVSDDYTRFEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-2-3-4-5-6-11-19-28-25-18-10-8-14-21(25)23-16-12-15-22-20-13-7-9-17-24(20)27-26(22)23/h7-10,12-18,27H,2-6,11,19H2,1H3.
What are the key properties of 1-(2-octoxyphenyl)-9H-carbazole?
1-(2-octoxyphenyl)-9H-carbazole has a molecular weight of 371.52 g/mol, XLogP of 7.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octoxyphenyl)-9H-carbazole is sourced from PubChem (CID 174629986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).