2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile

C38H22N4O2 — CID 130419581

IUPAC2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile
SMILESN#Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1cc(N2c3ccccc3Oc3ccccc32)ccc1C#N
InChIInChI=1S/C38H22N4O2/c39-23-25-17-19-27(41-31-9-1-5-13-35(31)43-36-14-6-2-10-32(36)41)21-29(25)30-22-28(20-18-26(30)24-40)42-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)42/h1-22H
InChIKeyQESNMBUCVRMYSI-UHFFFAOYSA-N
MW566.62 g/mol
LogP10.25
Rot. Bonds3

About 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile

2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile (PubChem CID 130419581) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile.

Molecular Properties

Compound Name2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile
PubChem CID130419581
Molecular FormulaC38H22N4O2
Molecular Weight566.62 g/mol
Exact Mass566.17
IUPAC Name2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile
SMILESN#Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1cc(N2c3ccccc3Oc3ccccc32)ccc1C#N
InChIInChI=1S/C38H22N4O2/c39-23-25-17-19-27(41-31-9-1-5-13-35(31)43-36-14-6-2-10-32(36)41)21-29(25)30-22-28(20-18-26(30)24-40)42-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)42/h1-22H
InChIKeyQESNMBUCVRMYSI-UHFFFAOYSA-N
XLogP10.25
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile?
The IUPAC name of 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile (CID 130419581) is 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile.
What is the SMILES notation for 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile?
The canonical SMILES for 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile is N#Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1cc(N2c3ccccc3Oc3ccccc32)ccc1C#N.
What is the InChIKey of 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile?
The InChIKey is QESNMBUCVRMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c39-23-25-17-19-27(41-31-9-1-5-13-35(31)43-36-14-6-2-10-32(36)41)21-29(25)30-22-28(20-18-26(30)24-40)42-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)42/h1-22H.
What are the key properties of 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile?
2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile has a molecular weight of 566.62 g/mol, XLogP of 10.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile is sourced from PubChem (CID 130419581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).