benzene;9-octylcarbazole

C26H31N — CID 175067369

IUPACbenzene;9-octylcarbazole
SMILESCCCCCCCCn1c2ccccc2c2ccccc21.c1ccccc1
InChIInChI=1S/C20H25N.C6H6/c1-2-3-4-5-6-11-16-21-19-14-9-7-12-17(19)18-13-8-10-15-20(18)21;1-2-4-6-5-3-1/h7-10,12-15H,2-6,11,16H2,1H3;1-6H
InChIKeyHSQVDRREDLLJBP-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.84
Rot. Bonds7

About benzene;9-octylcarbazole

benzene;9-octylcarbazole (PubChem CID 175067369) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is benzene;9-octylcarbazole.

Molecular Properties

Compound Namebenzene;9-octylcarbazole
PubChem CID175067369
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Namebenzene;9-octylcarbazole
SMILESCCCCCCCCn1c2ccccc2c2ccccc21.c1ccccc1
InChIInChI=1S/C20H25N.C6H6/c1-2-3-4-5-6-11-16-21-19-14-9-7-12-17(19)18-13-8-10-15-20(18)21;1-2-4-6-5-3-1/h7-10,12-15H,2-6,11,16H2,1H3;1-6H
InChIKeyHSQVDRREDLLJBP-UHFFFAOYSA-N
XLogP7.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
(9-dodecylcarbazol-3-yl)methanol
CID 151995019
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
9-octylcarbazol-1-ol
CID 160567195
5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902
1-bromo-9-heptadecylcarbazole
CID 174836685
2-benzyl-9-hexylpyrido[3,4-b]indol-2-ium
CID 71739540
2-(9-hexylcarbazol-3-yl)-3,4,5-triphenylcyclopenta-2,4-dien-1-one
CID 134884813
2-dodecoxy-9-dodecylcarbazole
CID 15163810

Frequently Asked Questions

What is the IUPAC name of benzene;9-octylcarbazole?
The IUPAC name of benzene;9-octylcarbazole (CID 175067369) is benzene;9-octylcarbazole.
What is the SMILES notation for benzene;9-octylcarbazole?
The canonical SMILES for benzene;9-octylcarbazole is CCCCCCCCn1c2ccccc2c2ccccc21.c1ccccc1.
What is the InChIKey of benzene;9-octylcarbazole?
The InChIKey is HSQVDRREDLLJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.C6H6/c1-2-3-4-5-6-11-16-21-19-14-9-7-12-17(19)18-13-8-10-15-20(18)21;1-2-4-6-5-3-1/h7-10,12-15H,2-6,11,16H2,1H3;1-6H.
What are the key properties of benzene;9-octylcarbazole?
benzene;9-octylcarbazole has a molecular weight of 357.54 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9-octylcarbazole is sourced from PubChem (CID 175067369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).