10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine

C166H104F9N15O4S4 — CID 162183128

IUPAC10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine
SMILESFC(F)(F)c1c(N2c3ccccc3Cc3ccccc32)nc(N2c3ccccc3Cc3ccccc32)c(N2c3ccccc3Cc3ccccc32)c1N1c2ccccc2Cc2ccccc21.FC(F)(F)c1c(N2c3ccccc3Oc3ccccc32)nc(N2c3ccccc3Oc3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1N1c2ccccc2Oc2ccccc21.FC(F)(F)c1c(N2c3ccccc3Sc3ccccc32)nc(N2c3ccccc3Sc3ccccc32)c(N2c3ccccc3Sc3ccccc32)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C58H40F3N5.C54H32F3N5O4.C54H32F3N5S4/c59-58(60,61)53-54(63-45-25-9-1-17-37(45)33-38-18-2-10-26-46(38)63)55(64-47-27-11-3-19-39(47)34-40-20-4-12-28-48(40)64)57(66-51-31-15-7-23-43(51)36-44-24-8-16-32-52(44)66)62-56(53)65-49-29-13-5-21-41(49)35-42-22-6-14-30-50(42)65;2*55-54(56,57)49-50(59-33-17-1-9-25-41(33)63-42-26-10-2-18-34(42)59)51(60-35-19-3-11-27-43(35)64-44-28-12-4-20-36(44)60)53(62-39-23-7-15-31-47(39)66-48-32-16-8-24-40(48)62)58-52(49)61-37-21-5-13-29-45(37)65-46-30-14-6-22-38(46)61/h1-32H,33-36H2;2*1-32H
InChIKeyZPHPTKJVUPMCNI-UHFFFAOYSA-N
MW2672.01 g/mol
LogP49.84
Rot. Bonds12

About 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine

10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine (PubChem CID 162183128) has the molecular formula C166H104F9N15O4S4 and a molecular weight of 2672.01 g/mol. Its IUPAC name is 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine.

Molecular Properties

Compound Name10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine
PubChem CID162183128
Molecular FormulaC166H104F9N15O4S4
Molecular Weight2672.01 g/mol
Exact Mass2669.71
IUPAC Name10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine
SMILESFC(F)(F)c1c(N2c3ccccc3Cc3ccccc32)nc(N2c3ccccc3Cc3ccccc32)c(N2c3ccccc3Cc3ccccc32)c1N1c2ccccc2Cc2ccccc21.FC(F)(F)c1c(N2c3ccccc3Oc3ccccc32)nc(N2c3ccccc3Oc3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1N1c2ccccc2Oc2ccccc21.FC(F)(F)c1c(N2c3ccccc3Sc3ccccc32)nc(N2c3ccccc3Sc3ccccc32)c(N2c3ccccc3Sc3ccccc32)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C58H40F3N5.C54H32F3N5O4.C54H32F3N5S4/c59-58(60,61)53-54(63-45-25-9-1-17-37(45)33-38-18-2-10-26-46(38)63)55(64-47-27-11-3-19-39(47)34-40-20-4-12-28-48(40)64)57(66-51-31-15-7-23-43(51)36-44-24-8-16-32-52(44)66)62-56(53)65-49-29-13-5-21-41(49)35-42-22-6-14-30-50(42)65;2*55-54(56,57)49-50(59-33-17-1-9-25-41(33)63-42-26-10-2-18-34(42)59)51(60-35-19-3-11-27-43(35)64-44-28-12-4-20-36(44)60)53(62-39-23-7-15-31-47(39)66-48-32-16-8-24-40(48)62)58-52(49)61-37-21-5-13-29-45(37)65-46-30-14-6-22-38(46)61/h1-32H,33-36H2;2*1-32H
InChIKeyZPHPTKJVUPMCNI-UHFFFAOYSA-N
XLogP49.84
TPSA114.47 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002672.01
LogP ≤ 549.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine?
The IUPAC name of 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine (CID 162183128) is 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine.
What is the SMILES notation for 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine?
The canonical SMILES for 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine is FC(F)(F)c1c(N2c3ccccc3Cc3ccccc32)nc(N2c3ccccc3Cc3ccccc32)c(N2c3ccccc3Cc3ccccc32)c1N1c2ccccc2Cc2ccccc21.FC(F)(F)c1c(N2c3ccccc3Oc3ccccc32)nc(N2c3ccccc3Oc3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1N1c2ccccc2Oc2ccccc21.FC(F)(F)c1c(N2c3ccccc3Sc3ccccc32)nc(N2c3ccccc3Sc3ccccc32)c(N2c3ccccc3Sc3ccccc32)c1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine?
The InChIKey is ZPHPTKJVUPMCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40F3N5.C54H32F3N5O4.C54H32F3N5S4/c59-58(60,61)53-54(63-45-25-9-1-17-37(45)33-38-18-2-10-26-46(38)63)55(64-47-27-11-3-19-39(47)34-40-20-4-12-28-48(40)64)57(66-51-31-15-7-23-43(51)36-44-24-8-16-32-52(44)66)62-56(53)65-49-29-13-5-21-41(49)35-42-22-6-14-30-50(42)65;2*55-54(56,57)49-50(59-33-17-1-9-25-41(33)63-42-26-10-2-18-34(42)59)51(60-35-19-3-11-27-43(35)64-44-28-12-4-20-36(44)60)53(62-39-23-7-15-31-47(39)66-48-32-16-8-24-40(48)62)58-52(49)61-37-21-5-13-29-45(37)65-46-30-14-6-22-38(46)61/h1-32H,33-36H2;2*1-32H.
What are the key properties of 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine?
10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine has a molecular weight of 2672.01 g/mol, XLogP of 49.84, 12 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,3,6-tri(phenothiazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenothiazine;10-[2,3,6-tri(phenoxazin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]phenoxazine;10-[2,3,6-tris(9H-acridin-10-yl)-5-(trifluoromethyl)-4-pyridinyl]-9H-acridine is sourced from PubChem (CID 162183128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).