4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile

C34H19N3O — CID 122435576

IUPAC4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c2ccccc2c1-c1cccc2c(N3c4ccccc4Oc4ccccc43)cccc12
InChIInChI=1S/C34H19N3O/c35-20-22-19-23(21-36)34(27-10-2-1-9-24(22)27)28-13-7-12-26-25(28)11-8-16-29(26)37-30-14-3-5-17-32(30)38-33-18-6-4-15-31(33)37/h1-19H
InChIKeyKYVYXGDQZBRDEN-UHFFFAOYSA-N
MW485.55 g/mol
LogP8.98
Rot. Bonds2

About 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile

4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile (PubChem CID 122435576) has the molecular formula C34H19N3O and a molecular weight of 485.55 g/mol. Its IUPAC name is 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile
PubChem CID122435576
Molecular FormulaC34H19N3O
Molecular Weight485.55 g/mol
Exact Mass485.15
IUPAC Name4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c2ccccc2c1-c1cccc2c(N3c4ccccc4Oc4ccccc43)cccc12
InChIInChI=1S/C34H19N3O/c35-20-22-19-23(21-36)34(27-10-2-1-9-24(22)27)28-13-7-12-26-25(28)11-8-16-29(26)37-30-14-3-5-17-32(30)38-33-18-6-4-15-31(33)37/h1-19H
InChIKeyKYVYXGDQZBRDEN-UHFFFAOYSA-N
XLogP8.98
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413661
6-phenoxazin-10-ylpyrene-1-carbonitrile
CID 145009256
3-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543305
3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
CID 135273556
2-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146542742
3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile
CID 137369277
10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
CID 59196124
2-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413555
5-[2-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile
CID 146542731
2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile
CID 163742751
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile?
The IUPAC name of 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile (CID 122435576) is 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile?
The canonical SMILES for 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile is N#Cc1cc(C#N)c2ccccc2c1-c1cccc2c(N3c4ccccc4Oc4ccccc43)cccc12.
What is the InChIKey of 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile?
The InChIKey is KYVYXGDQZBRDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3O/c35-20-22-19-23(21-36)34(27-10-2-1-9-24(22)27)28-13-7-12-26-25(28)11-8-16-29(26)37-30-14-3-5-17-32(30)38-33-18-6-4-15-31(33)37/h1-19H.
What are the key properties of 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile?
4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile has a molecular weight of 485.55 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile is sourced from PubChem (CID 122435576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).