9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile

C28H20N2O — CID 139205619

IUPAC9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C28H20N2O/c1-28(2)22-15-18(17-29)11-13-20(22)21-14-12-19(16-23(21)28)30-24-7-3-5-9-26(24)31-27-10-6-4-8-25(27)30/h3-16H,1-2H3
InChIKeyLKGYDUJLTFAGPV-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.44
Rot. Bonds1

About 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile

9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile (PubChem CID 139205619) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile.

Molecular Properties

Compound Name9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile
PubChem CID139205619
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C28H20N2O/c1-28(2)22-15-18(17-29)11-13-20(22)21-14-12-19(16-23(21)28)30-24-7-3-5-9-26(24)31-27-10-6-4-8-25(27)30/h3-16H,1-2H3
InChIKeyLKGYDUJLTFAGPV-UHFFFAOYSA-N
XLogP7.44
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-{[1,1'-biphenyl]-4-yl}-10H-phenoxazine
CID 71003880
N2,N2,N7,N7-Tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine
CID 90153756
3-(5-Cyano-2-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile
CID 124173937
2-(2-Cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile
CID 130419581
N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 167165035
10-(4-Methoxyphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-7-[7'-(2,3,4,5,6-pentafluorophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenoxazine
CID 57641794
10-(2,7,7'-Trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine
CID 66807472
10-(7'-Fluoro-9,9'-spirobi[fluorene]-2'-yl)phenoxazine
CID 68014494
10-(2',7,7'-Trifluoro-9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 89747741
10-(7'-Fluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine
CID 117800837
6-(9,9-Dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-yltriphenylene-2-carbonitrile
CID 121477981
5-Fluoro-2-(4-phenoxazin-10-ylphenyl)benzene-1,3-dicarbonitrile
CID 122435748

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile?
The IUPAC name of 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile (CID 139205619) is 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile.
What is the SMILES notation for 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile?
The canonical SMILES for 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile?
The InChIKey is LKGYDUJLTFAGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-28(2)22-15-18(17-29)11-13-20(22)21-14-12-19(16-23(21)28)30-24-7-3-5-9-26(24)31-27-10-6-4-8-25(27)30/h3-16H,1-2H3.
What are the key properties of 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile?
9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile has a molecular weight of 400.48 g/mol, XLogP of 7.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile is sourced from PubChem (CID 139205619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).