4-phenylcyclopenta[c]cinnoline

C17H12N2 — CID 12572463

IUPAC4-phenylcyclopenta[c]cinnoline
SMILESc1ccc(-n2nc3ccccc3c3cccc2-3)cc1
InChIInChI=1S/C17H12N2/c1-2-7-13(8-3-1)19-17-12-6-10-15(17)14-9-4-5-11-16(14)18-19/h1-12H
InChIKeyKRILJGLDDVAHGM-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.13
Rot. Bonds1

About 4-phenylcyclopenta[c]cinnoline

4-phenylcyclopenta[c]cinnoline (PubChem CID 12572463) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-phenylcyclopenta[c]cinnoline.

Molecular Properties

Compound Name4-phenylcyclopenta[c]cinnoline
PubChem CID12572463
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name4-phenylcyclopenta[c]cinnoline
SMILESc1ccc(-n2nc3ccccc3c3cccc2-3)cc1
InChIInChI=1S/C17H12N2/c1-2-7-13(8-3-1)19-17-12-6-10-15(17)14-9-4-5-11-16(14)18-19/h1-12H
InChIKeyKRILJGLDDVAHGM-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-2-phenylindazole
CID 21044962
3-benzyl-2-phenylindazole
CID 25217782
3-(2,2-dimethylpropyl)-2-phenylindazole
CID 25217909
2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol
CID 71674212
1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline
CID 71674113
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
2-(3-ethylphenyl)-3-phenylindazole
CID 169225849
5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one
CID 165352090
3-chloro-2-pyridin-3-ylindazole
CID 134094821
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208
2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
CID 102437700
1,3,5-triphenylpyrazole
CID 626614

Frequently Asked Questions

What is the IUPAC name of 4-phenylcyclopenta[c]cinnoline?
The IUPAC name of 4-phenylcyclopenta[c]cinnoline (CID 12572463) is 4-phenylcyclopenta[c]cinnoline.
What is the SMILES notation for 4-phenylcyclopenta[c]cinnoline?
The canonical SMILES for 4-phenylcyclopenta[c]cinnoline is c1ccc(-n2nc3ccccc3c3cccc2-3)cc1.
What is the InChIKey of 4-phenylcyclopenta[c]cinnoline?
The InChIKey is KRILJGLDDVAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-7-13(8-3-1)19-17-12-6-10-15(17)14-9-4-5-11-16(14)18-19/h1-12H.
What are the key properties of 4-phenylcyclopenta[c]cinnoline?
4-phenylcyclopenta[c]cinnoline has a molecular weight of 244.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcyclopenta[c]cinnoline is sourced from PubChem (CID 12572463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).