8-octyl-3-phenylbenzo[c]cinnoline

C26H28N2 — CID 132938337

IUPAC8-octyl-3-phenylbenzo[c]cinnoline
SMILESCCCCCCCCc1ccc2c(c1)nnc1cc(-c3ccccc3)ccc12
InChIInChI=1S/C26H28N2/c1-2-3-4-5-6-8-11-20-14-16-23-24-17-15-22(21-12-9-7-10-13-21)19-26(24)28-27-25(23)18-20/h7,9-10,12-19H,2-6,8,11H2,1H3
InChIKeyDYAASAKRGFOQEF-UHFFFAOYSA-N
MW368.52 g/mol
LogP7.35
Rot. Bonds8

About 8-octyl-3-phenylbenzo[c]cinnoline

8-octyl-3-phenylbenzo[c]cinnoline (PubChem CID 132938337) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 8-octyl-3-phenylbenzo[c]cinnoline.

Molecular Properties

Compound Name8-octyl-3-phenylbenzo[c]cinnoline
PubChem CID132938337
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name8-octyl-3-phenylbenzo[c]cinnoline
SMILESCCCCCCCCc1ccc2c(c1)nnc1cc(-c3ccccc3)ccc12
InChIInChI=1S/C26H28N2/c1-2-3-4-5-6-8-11-20-14-16-23-24-17-15-22(21-12-9-7-10-13-21)19-26(24)28-27-25(23)18-20/h7,9-10,12-19H,2-6,8,11H2,1H3
InChIKeyDYAASAKRGFOQEF-UHFFFAOYSA-N
XLogP7.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-pentadecyl-4-phenylbenzene
CID 57166115
3-(4-propylphenyl)benzo[c]cinnoline
CID 171776982
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
7-octyl-2-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 90049058
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2-octylazulene
CID 101406191
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
9-N-(2,4-didecylphenyl)-9-N,10-N,10-N-tris(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine
CID 167108918
6-fluoro-3-(4-methylphenyl)-8-octylphenanthridine
CID 54030268
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594

Frequently Asked Questions

What is the IUPAC name of 8-octyl-3-phenylbenzo[c]cinnoline?
The IUPAC name of 8-octyl-3-phenylbenzo[c]cinnoline (CID 132938337) is 8-octyl-3-phenylbenzo[c]cinnoline.
What is the SMILES notation for 8-octyl-3-phenylbenzo[c]cinnoline?
The canonical SMILES for 8-octyl-3-phenylbenzo[c]cinnoline is CCCCCCCCc1ccc2c(c1)nnc1cc(-c3ccccc3)ccc12.
What is the InChIKey of 8-octyl-3-phenylbenzo[c]cinnoline?
The InChIKey is DYAASAKRGFOQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-2-3-4-5-6-8-11-20-14-16-23-24-17-15-22(21-12-9-7-10-13-21)19-26(24)28-27-25(23)18-20/h7,9-10,12-19H,2-6,8,11H2,1H3.
What are the key properties of 8-octyl-3-phenylbenzo[c]cinnoline?
8-octyl-3-phenylbenzo[c]cinnoline has a molecular weight of 368.52 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-octyl-3-phenylbenzo[c]cinnoline is sourced from PubChem (CID 132938337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).