3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile

C62H36N6O4 — CID 135273556

IUPAC3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
SMILESN#Cc1cc(N2c3ccccc3Oc3ccccc32)cc(-c2cc(N3c4ccccc4Oc4ccccc43)cc(C#N)c2N2c3ccccc3Oc3ccccc32)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C62H36N6O4/c63-37-39-33-41(65-45-17-1-9-25-53(45)69-54-26-10-2-18-46(54)65)35-43(61(39)67-49-21-5-13-29-57(49)71-58-30-14-6-22-50(58)67)44-36-42(66-47-19-3-11-27-55(47)70-56-28-12-4-20-48(56)66)34-40(38-64)62(44)68-51-23-7-15-31-59(51)72-60-32-16-8-24-52(60)68/h1-36H
InChIKeyMZAQNUQKQXKBSA-UHFFFAOYSA-N
MW929.01 g/mol
LogP17.40
Rot. Bonds5

About 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile

3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile (PubChem CID 135273556) has the molecular formula C62H36N6O4 and a molecular weight of 929.01 g/mol. Its IUPAC name is 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile.

Molecular Properties

Compound Name3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
PubChem CID135273556
Molecular FormulaC62H36N6O4
Molecular Weight929.01 g/mol
Exact Mass928.28
IUPAC Name3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
SMILESN#Cc1cc(N2c3ccccc3Oc3ccccc32)cc(-c2cc(N3c4ccccc4Oc4ccccc43)cc(C#N)c2N2c3ccccc3Oc3ccccc32)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C62H36N6O4/c63-37-39-33-41(65-45-17-1-9-25-53(45)69-54-26-10-2-18-46(54)65)35-43(61(39)67-49-21-5-13-29-57(49)71-58-30-14-6-22-50(58)67)44-36-42(66-47-19-3-11-27-55(47)70-56-28-12-4-20-48(56)66)34-40(38-64)62(44)68-51-23-7-15-31-59(51)72-60-32-16-8-24-52(60)68/h1-36H
InChIKeyMZAQNUQKQXKBSA-UHFFFAOYSA-N
XLogP17.40
TPSA97.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.01
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile with MolForge

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Related Compounds

2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
4-[(4-cyanophenyl)-[3,5-di(phenoxazin-10-yl)phenyl]methyl]benzonitrile
CID 154990028
2,5-bis[(E)-2-(10-phenylphenoxazin-3-yl)ethenyl]benzene-1,4-dicarbonitrile
CID 89341929
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile
CID 122435576
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855
4-(4-phenoxazin-10-ylbenzoyl)benzonitrile
CID 140898234
3-[5-(3-cyanophenyl)-3-methyl-2,4-di(phenoxazin-10-yl)phenyl]benzonitrile
CID 139553033
4,6-diethyl-2,5-di(phenoxazin-10-yl)benzene-1,3-dicarbonitrile
CID 139549866

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile?
The IUPAC name of 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile (CID 135273556) is 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile.
What is the SMILES notation for 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile?
The canonical SMILES for 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile is N#Cc1cc(N2c3ccccc3Oc3ccccc32)cc(-c2cc(N3c4ccccc4Oc4ccccc43)cc(C#N)c2N2c3ccccc3Oc3ccccc32)c1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile?
The InChIKey is MZAQNUQKQXKBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N6O4/c63-37-39-33-41(65-45-17-1-9-25-53(45)69-54-26-10-2-18-46(54)65)35-43(61(39)67-49-21-5-13-29-57(49)71-58-30-14-6-22-50(58)67)44-36-42(66-47-19-3-11-27-55(47)70-56-28-12-4-20-48(56)66)34-40(38-64)62(44)68-51-23-7-15-31-59(51)72-60-32-16-8-24-52(60)68/h1-36H.
What are the key properties of 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile?
3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile has a molecular weight of 929.01 g/mol, XLogP of 17.40, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile is sourced from PubChem (CID 135273556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).