6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene

C34H23ClN2 — CID 174937225

IUPAC6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene
SMILESC(=C(c1ccccc1)c1ccccc1-c1cc2ccc1-2)c1ccccc1.Clc1ccc2nnccc2c1
InChIInChI=1S/C26H18.C8H5ClN2/c1-3-9-19(10-4-1)17-25(20-11-5-2-6-12-20)23-13-7-8-14-24(23)26-18-21-15-16-22(21)26;9-7-1-2-8-6(5-7)3-4-10-11-8/h1-18H;1-5H
InChIKeyRXKPARLCJGNPCY-UHFFFAOYSA-N
MW495.03 g/mol
LogP9.21
Rot. Bonds4

About 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene

6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174937225) has the molecular formula C34H23ClN2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174937225
Molecular FormulaC34H23ClN2
Molecular Weight495.03 g/mol
Exact Mass494.15
IUPAC Name6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene
SMILESC(=C(c1ccccc1)c1ccccc1-c1cc2ccc1-2)c1ccccc1.Clc1ccc2nnccc2c1
InChIInChI=1S/C26H18.C8H5ClN2/c1-3-9-19(10-4-1)17-25(20-11-5-2-6-12-20)23-13-7-8-14-24(23)26-18-21-15-16-22(21)26;9-7-1-2-8-6(5-7)3-4-10-11-8/h1-18H;1-5H
InChIKeyRXKPARLCJGNPCY-UHFFFAOYSA-N
XLogP9.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene (CID 174937225) is 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene is C(=C(c1ccccc1)c1ccccc1-c1cc2ccc1-2)c1ccccc1.Clc1ccc2nnccc2c1.
What is the InChIKey of 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is RXKPARLCJGNPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C8H5ClN2/c1-3-9-19(10-4-1)17-25(20-11-5-2-6-12-20)23-13-7-8-14-24(23)26-18-21-15-16-22(21)26;9-7-1-2-8-6(5-7)3-4-10-11-8/h1-18H;1-5H.
What are the key properties of 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene?
6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 495.03 g/mol, XLogP of 9.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorocinnoline;2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174937225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).