10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine

C37H20F3NS — CID 66807479

IUPAC10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine
SMILESFc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2cc(F)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C37H20F3NS/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/h1-20H
InChIKeyAZADGWWRMLBODU-UHFFFAOYSA-N
MW567.64 g/mol
LogP10.38
Rot. Bonds1

About 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine

10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine (PubChem CID 66807479) has the molecular formula C37H20F3NS and a molecular weight of 567.64 g/mol. Its IUPAC name is 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine.

Molecular Properties

Compound Name10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine
PubChem CID66807479
Molecular FormulaC37H20F3NS
Molecular Weight567.64 g/mol
Exact Mass567.13
IUPAC Name10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine
SMILESFc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2cc(F)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C37H20F3NS/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/h1-20H
InChIKeyAZADGWWRMLBODU-UHFFFAOYSA-N
XLogP10.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.64
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine with MolForge

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Related Compounds

10-(4-Biphenylyl)phenothiazine
CID 3680113
10-(Naphthalen-2-yl)-10H-phenothiazine
CID 141391080
10(Triphenylen-2-yl)-10h-phenothiazine
CID 141391085
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenyl)sulfanylphenyl]-2-N-phenylfluorene-2,7-diamine
CID 23593184
7-N,9,9-trimethyl-2-N-[4-(4-methylphenyl)sulfanylphenyl]-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
CID 23593269
N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 66807502
10-(7'-Fluoro-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
CID 68014497
3-(4-Fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
CID 71004008
10-[4-(4-Fluorophenyl)phenyl]-3,7-diphenylphenothiazine
CID 71004019
3,7-Ditert-butyl-10-[7-[6-(3,7-ditert-butylphenothiazin-10-yl)-9,9-dimethyl-8-(trifluoromethyl)fluoren-2-yl]-1,9,9-trimethylfluoren-3-yl]phenothiazine
CID 88570239
3,7-Ditert-butyl-10-[7-[6-(3,7-ditert-butylphenothiazin-10-yl)-9,9-dimethyl-8-(trifluoromethyl)fluoren-2-yl]-9,9-dimethyl-1-(trifluoromethyl)fluoren-3-yl]phenothiazine
CID 88572707
10-(7'-Fluoro-9,9'-spirobi[fluorene]-2'-yl)-9,9-dimethylacridine
CID 89747722

Frequently Asked Questions

What is the IUPAC name of 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine?
The IUPAC name of 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine (CID 66807479) is 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine.
What is the SMILES notation for 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine?
The canonical SMILES for 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine is Fc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2cc(F)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21.
What is the InChIKey of 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine?
The InChIKey is AZADGWWRMLBODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20F3NS/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/h1-20H.
What are the key properties of 10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine?
10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine has a molecular weight of 567.64 g/mol, XLogP of 10.38, 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'-trifluoro-9,9'-spirobi[fluorene]-2-yl)phenothiazine is sourced from PubChem (CID 66807479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).