3,6-dimethyl-9-(4-octoxyphenyl)carbazole

C28H33NO — CID 21042265

IUPAC3,6-dimethyl-9-(4-octoxyphenyl)carbazole
SMILESCCCCCCCCOc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C28H33NO/c1-4-5-6-7-8-9-18-30-24-14-12-23(13-15-24)29-27-16-10-21(2)19-25(27)26-20-22(3)11-17-28(26)29/h10-17,19-20H,4-9,18H2,1-3H3
InChIKeyZDOVHBDXCPSJQM-UHFFFAOYSA-N
MW399.58 g/mol
LogP8.14
Rot. Bonds9

About 3,6-dimethyl-9-(4-octoxyphenyl)carbazole

3,6-dimethyl-9-(4-octoxyphenyl)carbazole (PubChem CID 21042265) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is 3,6-dimethyl-9-(4-octoxyphenyl)carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-(4-octoxyphenyl)carbazole
PubChem CID21042265
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC Name3,6-dimethyl-9-(4-octoxyphenyl)carbazole
SMILESCCCCCCCCOc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C28H33NO/c1-4-5-6-7-8-9-18-30-24-14-12-23(13-15-24)29-27-16-10-21(2)19-25(27)26-20-22(3)11-17-28(26)29/h10-17,19-20H,4-9,18H2,1-3H3
InChIKeyZDOVHBDXCPSJQM-UHFFFAOYSA-N
XLogP8.14
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 58.14
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

3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
CID 59683855
9,18,27-tris(4-hexoxyphenyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 130472931
9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
CID 161246536
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
2-[5-[4-(3,6-dihexoxycarbazol-9-yl)phenyl]thiophen-2-yl]-7-[5-[4-(3-hexoxy-6-pentoxycarbazol-9-yl)phenyl]thiophen-2-yl]fluoren-9-one
CID 171056028
9,10-diheptoxy-2,6-dimethylanthracene
CID 123170872
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
2,5-bis(4-bromophenyl)-1-(4-hexoxyphenyl)pyrrole
CID 23497956
9-[4-(2-butyloctoxy)phenyl]-3,6-difluorocarbazole
CID 102281660
5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
CID 129133621

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-(4-octoxyphenyl)carbazole?
The IUPAC name of 3,6-dimethyl-9-(4-octoxyphenyl)carbazole (CID 21042265) is 3,6-dimethyl-9-(4-octoxyphenyl)carbazole.
What is the SMILES notation for 3,6-dimethyl-9-(4-octoxyphenyl)carbazole?
The canonical SMILES for 3,6-dimethyl-9-(4-octoxyphenyl)carbazole is CCCCCCCCOc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.
What is the InChIKey of 3,6-dimethyl-9-(4-octoxyphenyl)carbazole?
The InChIKey is ZDOVHBDXCPSJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO/c1-4-5-6-7-8-9-18-30-24-14-12-23(13-15-24)29-27-16-10-21(2)19-25(27)26-20-22(3)11-17-28(26)29/h10-17,19-20H,4-9,18H2,1-3H3.
What are the key properties of 3,6-dimethyl-9-(4-octoxyphenyl)carbazole?
3,6-dimethyl-9-(4-octoxyphenyl)carbazole has a molecular weight of 399.58 g/mol, XLogP of 8.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-(4-octoxyphenyl)carbazole is sourced from PubChem (CID 21042265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).