10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine

C36H24FNS — CID 71004019

IUPAC10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine
SMILESFc1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4Sc4cc(-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C36H24FNS/c37-31-17-11-27(12-18-31)28-13-19-32(20-14-28)38-33-21-15-29(25-7-3-1-4-8-25)23-35(33)39-36-24-30(16-22-34(36)38)26-9-5-2-6-10-26/h1-24H
InChIKeyAWDQJKMVJIIFSR-UHFFFAOYSA-N
MW521.66 g/mol
LogP10.76
Rot. Bonds4

About 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine

10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine (PubChem CID 71004019) has the molecular formula C36H24FNS and a molecular weight of 521.66 g/mol. Its IUPAC name is 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine.

Molecular Properties

Compound Name10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine
PubChem CID71004019
Molecular FormulaC36H24FNS
Molecular Weight521.66 g/mol
Exact Mass521.16
IUPAC Name10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine
SMILESFc1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4Sc4cc(-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C36H24FNS/c37-31-17-11-27(12-18-31)28-13-19-32(20-14-28)38-33-21-15-29(25-7-3-1-4-8-25)23-35(33)39-36-24-30(16-22-34(36)38)26-9-5-2-6-10-26/h1-24H
InChIKeyAWDQJKMVJIIFSR-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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Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine?
The IUPAC name of 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine (CID 71004019) is 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine.
What is the SMILES notation for 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine?
The canonical SMILES for 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine is Fc1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4Sc4cc(-c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine?
The InChIKey is AWDQJKMVJIIFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24FNS/c37-31-17-11-27(12-18-31)28-13-19-32(20-14-28)38-33-21-15-29(25-7-3-1-4-8-25)23-35(33)39-36-24-30(16-22-34(36)38)26-9-5-2-6-10-26/h1-24H.
What are the key properties of 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine?
10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine 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 10-[4-(4-fluorophenyl)phenyl]-3,7-diphenylphenothiazine is sourced from PubChem (CID 71004019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).