10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine

C34H16F6N2S2 — CID 177493168

IUPAC10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
SMILESFc1c(N2c3ccccc3Sc3ccccc32)c(F)c2c(F)c(N3c4ccccc4Sc4ccccc43)c(F)c(F)c2c1F
InChIInChI=1S/C34H16F6N2S2/c35-27-25-26(29(37)33(31(27)39)41-17-9-1-5-13-21(17)43-22-14-6-2-10-18(22)41)30(38)34(32(40)28(25)36)42-19-11-3-7-15-23(19)44-24-16-8-4-12-20(24)42/h1-16H
InChIKeyBTRBVVCCNUHBSG-UHFFFAOYSA-N
MW630.64 g/mol
LogP11.54
Rot. Bonds2

About 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine

10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine (PubChem CID 177493168) has the molecular formula C34H16F6N2S2 and a molecular weight of 630.64 g/mol. Its IUPAC name is 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine.

Molecular Properties

Compound Name10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
PubChem CID177493168
Molecular FormulaC34H16F6N2S2
Molecular Weight630.64 g/mol
Exact Mass630.07
IUPAC Name10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
SMILESFc1c(N2c3ccccc3Sc3ccccc32)c(F)c2c(F)c(N3c4ccccc4Sc4ccccc43)c(F)c(F)c2c1F
InChIInChI=1S/C34H16F6N2S2/c35-27-25-26(29(37)33(31(27)39)41-17-9-1-5-13-21(17)43-22-14-6-2-10-18(22)41)30(38)34(32(40)28(25)36)42-19-11-3-7-15-23(19)44-24-16-8-4-12-20(24)42/h1-16H
InChIKeyBTRBVVCCNUHBSG-UHFFFAOYSA-N
XLogP11.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.64
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
The IUPAC name of 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine (CID 177493168) is 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine.
What is the SMILES notation for 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
The canonical SMILES for 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine is Fc1c(N2c3ccccc3Sc3ccccc32)c(F)c2c(F)c(N3c4ccccc4Sc4ccccc43)c(F)c(F)c2c1F.
What is the InChIKey of 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
The InChIKey is BTRBVVCCNUHBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H16F6N2S2/c35-27-25-26(29(37)33(31(27)39)41-17-9-1-5-13-21(17)43-22-14-6-2-10-18(22)41)30(38)34(32(40)28(25)36)42-19-11-3-7-15-23(19)44-24-16-8-4-12-20(24)42/h1-16H.
What are the key properties of 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine has a molecular weight of 630.64 g/mol, XLogP of 11.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine is sourced from PubChem (CID 177493168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).