3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine

C36H24FNS — CID 71004008

IUPAC3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
SMILESFc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H24FNS/c37-31-17-11-28(12-18-31)30-16-22-34-36(24-30)39-35-23-29(26-9-5-2-6-10-26)15-21-33(35)38(34)32-19-13-27(14-20-32)25-7-3-1-4-8-25/h1-24H
InChIKeyRQFARUHNTGCIBF-UHFFFAOYSA-N
MW521.66 g/mol
LogP10.76
Rot. Bonds4

About 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine

3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine (PubChem CID 71004008) has the molecular formula C36H24FNS and a molecular weight of 521.66 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
PubChem CID71004008
Molecular FormulaC36H24FNS
Molecular Weight521.66 g/mol
Exact Mass521.16
IUPAC Name3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
SMILESFc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H24FNS/c37-31-17-11-28(12-18-31)30-16-22-34-36(24-30)39-35-23-29(26-9-5-2-6-10-26)15-21-33(35)38(34)32-19-13-27(14-20-32)25-7-3-1-4-8-25/h1-24H
InChIKeyRQFARUHNTGCIBF-UHFFFAOYSA-N
XLogP10.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
CID 71003998
4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline
CID 172878754
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
CID 121475719
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
3,7-bis(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methyl-7-(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3,7-bis(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3-(4-phenothiazin-10-ylphenyl)phenothiazine
CID 159482320
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
CID 144768210
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
10-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenothiazine
CID 149398395
3,6-bis(4-carbazol-9-ylphenyl)-9-methylcarbazole;3-(4-carbazol-9-ylphenyl)-9-methylcarbazole;10-methyl-3,7-bis(9-phenylcarbazol-3-yl)phenothiazine;10-methyl-3,7-bis(10-phenylphenothiazin-3-yl)phenothiazine;3-[9-methyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-phenylphenothiazine;10-methyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine
CID 159664393

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine?
The IUPAC name of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine (CID 71004008) is 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine?
The canonical SMILES for 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine is Fc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine?
The InChIKey is RQFARUHNTGCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24FNS/c37-31-17-11-28(12-18-31)30-16-22-34-36(24-30)39-35-23-29(26-9-5-2-6-10-26)15-21-33(35)38(34)32-19-13-27(14-20-32)25-7-3-1-4-8-25/h1-24H.
What are the key properties of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine?
3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine has a molecular weight of 521.66 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine is sourced from PubChem (CID 71004008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).