2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile

C27H23N3O — CID 139550208

IUPAC2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)c(C#N)c(C2CCCCC2)c1C#N
InChIInChI=1S/C27H23N3O/c1-18-15-24(21(17-29)27(20(18)16-28)19-9-3-2-4-10-19)30-22-11-5-7-13-25(22)31-26-14-8-6-12-23(26)30/h5-8,11-15,19H,2-4,9-10H2,1H3
InChIKeyHBWXYTLTGHFSIZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP7.36
Rot. Bonds2

About 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile

2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile (PubChem CID 139550208) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
PubChem CID139550208
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)c(C#N)c(C2CCCCC2)c1C#N
InChIInChI=1S/C27H23N3O/c1-18-15-24(21(17-29)27(20(18)16-28)19-9-3-2-4-10-19)30-22-11-5-7-13-25(22)31-26-14-8-6-12-23(26)30/h5-8,11-15,19H,2-4,9-10H2,1H3
InChIKeyHBWXYTLTGHFSIZ-UHFFFAOYSA-N
XLogP7.36
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine
CID 147456590
3-[3-(3-cyanophenyl)-2,5-dicyclohexyl-4-phenothiazin-10-yl-6-phenoxazin-10-ylphenyl]benzonitrile
CID 139553090
1-cyclohexyl-2-methyl-10H-phenoxazine
CID 91149715
4,6-diethyl-2,5-di(phenoxazin-10-yl)benzene-1,3-dicarbonitrile
CID 139549866
2,3,4,6-tetra(phenoxazin-10-yl)-5-(trifluoromethyl)benzonitrile
CID 134169853
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
2-cyclopentyl-6-methylbenzonitrile
CID 10559437
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
3-[3-(3-cyanophenyl)-2-cyclohexyl-4,6-di(phenothiazin-10-yl)phenyl]benzonitrile
CID 139553042
2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855
1-cyclobutyl-2-methyl-10H-phenoxazine
CID 91801399
3-[5-(3-cyanophenyl)-3-methyl-2,4-di(phenoxazin-10-yl)phenyl]benzonitrile
CID 139553033

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile (CID 139550208) is 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile is Cc1cc(N2c3ccccc3Oc3ccccc32)c(C#N)c(C2CCCCC2)c1C#N.
What is the InChIKey of 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
The InChIKey is HBWXYTLTGHFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-18-15-24(21(17-29)27(20(18)16-28)19-9-3-2-4-10-19)30-22-11-5-7-13-25(22)31-26-14-8-6-12-23(26)30/h5-8,11-15,19H,2-4,9-10H2,1H3.
What are the key properties of 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile has a molecular weight of 405.50 g/mol, XLogP of 7.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methyl-6-phenoxazin-10-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 139550208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).