3-(4-propylphenyl)benzo[c]cinnoline

C21H18N2 — CID 171776982

IUPAC3-(4-propylphenyl)benzo[c]cinnoline
SMILESCCCc1ccc(-c2ccc3c(c2)nnc2ccccc23)cc1
InChIInChI=1S/C21H18N2/c1-2-5-15-8-10-16(11-9-15)17-12-13-19-18-6-3-4-7-20(18)22-23-21(19)14-17/h3-4,6-14H,2,5H2,1H3
InChIKeyCTPARVAPCGUVFN-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.40
Rot. Bonds3

About 3-(4-propylphenyl)benzo[c]cinnoline

3-(4-propylphenyl)benzo[c]cinnoline (PubChem CID 171776982) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(4-propylphenyl)benzo[c]cinnoline.

Molecular Properties

Compound Name3-(4-propylphenyl)benzo[c]cinnoline
PubChem CID171776982
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name3-(4-propylphenyl)benzo[c]cinnoline
SMILESCCCc1ccc(-c2ccc3c(c2)nnc2ccccc23)cc1
InChIInChI=1S/C21H18N2/c1-2-5-15-8-10-16(11-9-15)17-12-13-19-18-6-3-4-7-20(18)22-23-21(19)14-17/h3-4,6-14H,2,5H2,1H3
InChIKeyCTPARVAPCGUVFN-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-octyl-3-phenylbenzo[c]cinnoline
CID 132938337
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
2-chloro-9,10-bis(4-propylphenyl)anthracene
CID 22715362
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714
CID 175306290
CID 175306290
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
2-(4-propylphenyl)quinoline
CID 69251676
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)benzo[c]cinnoline?
The IUPAC name of 3-(4-propylphenyl)benzo[c]cinnoline (CID 171776982) is 3-(4-propylphenyl)benzo[c]cinnoline.
What is the SMILES notation for 3-(4-propylphenyl)benzo[c]cinnoline?
The canonical SMILES for 3-(4-propylphenyl)benzo[c]cinnoline is CCCc1ccc(-c2ccc3c(c2)nnc2ccccc23)cc1.
What is the InChIKey of 3-(4-propylphenyl)benzo[c]cinnoline?
The InChIKey is CTPARVAPCGUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-2-5-15-8-10-16(11-9-15)17-12-13-19-18-6-3-4-7-20(18)22-23-21(19)14-17/h3-4,6-14H,2,5H2,1H3.
What are the key properties of 3-(4-propylphenyl)benzo[c]cinnoline?
3-(4-propylphenyl)benzo[c]cinnoline has a molecular weight of 298.39 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)benzo[c]cinnoline is sourced from PubChem (CID 171776982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).