10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine

C37H22F3NO — CID 66807472

IUPAC10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine
SMILESFC1=CC2=C(CC1)c1ccc(F)cc1C21c2cc(F)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C37H22F3NO/c38-21-9-13-25-26-14-10-22(39)18-30(26)37(29(25)17-21)31-19-23(40)11-15-27(31)28-16-12-24(20-32(28)37)41-33-5-1-3-7-35(33)42-36-8-4-2-6-34(36)41/h1-9,11-13,15-20H,10,14H2
InChIKeySQNUWAKXHVIPCB-UHFFFAOYSA-N
MW553.58 g/mol
LogP10.27
Rot. Bonds1

About 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine

10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine (PubChem CID 66807472) has the molecular formula C37H22F3NO and a molecular weight of 553.58 g/mol. Its IUPAC name is 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine.

Molecular Properties

Compound Name10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine
PubChem CID66807472
Molecular FormulaC37H22F3NO
Molecular Weight553.58 g/mol
Exact Mass553.17
IUPAC Name10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine
SMILESFC1=CC2=C(CC1)c1ccc(F)cc1C21c2cc(F)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C37H22F3NO/c38-21-9-13-25-26-14-10-22(39)18-30(26)37(29(25)17-21)31-19-23(40)11-15-27(31)28-16-12-24(20-32(28)37)41-33-5-1-3-7-35(33)42-36-8-4-2-6-34(36)41/h1-9,11-13,15-20H,10,14H2
InChIKeySQNUWAKXHVIPCB-UHFFFAOYSA-N
XLogP10.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.58
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5'-Fluoro-2',3'-diphenylspiro[2,4-dihydro-1,4-benzoxazine-3,1'-indene]
CID 155931167
3,7-Bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine
CID 164665377
10-{[1,1'-biphenyl]-4-yl}-10H-phenoxazine
CID 71003880
N2,N2,N7,N7-Tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine
CID 90153756
N2,N2',N7,N7'-Tetrakis(2-methoxyphenyl)-N2,N2',N7,N7'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetraamine
CID 118468824
3,7-Di([1,1'-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine
CID 129057445
10-(Naphthalen-1-yl)-10H-phenoxazine
CID 129057455
2-(2-Cyano-5-phenoxazin-10-ylphenyl)-4-phenoxazin-10-ylbenzonitrile
CID 130419581
9,9-Dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile
CID 139205619
10-(2-Phenylphenyl)phenoxazine
CID 139263867
N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 167165035
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine
CID 23593178

Frequently Asked Questions

What is the IUPAC name of 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine?
The IUPAC name of 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine (CID 66807472) is 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine.
What is the SMILES notation for 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine?
The canonical SMILES for 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine is FC1=CC2=C(CC1)c1ccc(F)cc1C21c2cc(F)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine?
The InChIKey is SQNUWAKXHVIPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F3NO/c38-21-9-13-25-26-14-10-22(39)18-30(26)37(29(25)17-21)31-19-23(40)11-15-27(31)28-16-12-24(20-32(28)37)41-33-5-1-3-7-35(33)42-36-8-4-2-6-34(36)41/h1-9,11-13,15-20H,10,14H2.
What are the key properties of 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine?
10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine has a molecular weight of 553.58 g/mol, XLogP of 10.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,7,7'-trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine is sourced from PubChem (CID 66807472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).