10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine

C148H94N22S4 — CID 158262991

IUPAC10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine
SMILES[C-]#[N+]c1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C43H28N6S.C38H25N5S.C35H20N6S.C32H21N5S/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49;1-3-12-26(13-4-1)30-16-11-17-31(39-30)38-41-36(27-14-5-2-6-15-27)40-37(42-38)28-22-24-29(25-23-28)43-32-18-7-9-20-34(32)44-35-21-10-8-19-33(35)43;1-37-27-18-14-25(15-19-27)34-38-33(24-12-10-23(22-36)11-13-24)39-35(40-34)26-16-20-28(21-17-26)41-29-6-2-4-8-31(29)42-32-9-5-3-7-30(32)41;1-2-10-22(11-3-1)30-34-31(36-32(35-30)25-12-8-9-21-33-25)23-17-19-24(20-18-23)37-26-13-4-6-15-28(26)38-29-16-7-5-14-27(29)37/h1-28H;1-25H;2-21H;1-21H
InChIKeyGICJOVPRENDOGN-UHFFFAOYSA-N
MW2308.80 g/mol
LogP38.23
Rot. Bonds19

About 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine

10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine (PubChem CID 158262991) has the molecular formula C148H94N22S4 and a molecular weight of 2308.80 g/mol. Its IUPAC name is 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine
PubChem CID158262991
Molecular FormulaC148H94N22S4
Molecular Weight2308.80 g/mol
Exact Mass2306.69
IUPAC Name10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine
SMILES[C-]#[N+]c1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C43H28N6S.C38H25N5S.C35H20N6S.C32H21N5S/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49;1-3-12-26(13-4-1)30-16-11-17-31(39-30)38-41-36(27-14-5-2-6-15-27)40-37(42-38)28-22-24-29(25-23-28)43-32-18-7-9-20-34(32)44-35-21-10-8-19-33(35)43;1-37-27-18-14-25(15-19-27)34-38-33(24-12-10-23(22-36)11-13-24)39-35(40-34)26-16-20-28(21-17-26)41-29-6-2-4-8-31(29)42-32-9-5-3-7-30(32)41;1-2-10-22(11-3-1)30-34-31(36-32(35-30)25-12-8-9-21-33-25)23-17-19-24(20-18-23)37-26-13-4-6-15-28(26)38-29-16-7-5-14-27(29)37/h1-28H;1-25H;2-21H;1-21H
InChIKeyGICJOVPRENDOGN-UHFFFAOYSA-N
XLogP38.23
TPSA247.35 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002308.80
LogP ≤ 538.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]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-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine?
The IUPAC name of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine (CID 158262991) is 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine is [C-]#[N+]c1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine?
The InChIKey is GICJOVPRENDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6S.C38H25N5S.C35H20N6S.C32H21N5S/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49;1-3-12-26(13-4-1)30-16-11-17-31(39-30)38-41-36(27-14-5-2-6-15-27)40-37(42-38)28-22-24-29(25-23-28)43-32-18-7-9-20-34(32)44-35-21-10-8-19-33(35)43;1-37-27-18-14-25(15-19-27)34-38-33(24-12-10-23(22-36)11-13-24)39-35(40-34)26-16-20-28(21-17-26)41-29-6-2-4-8-31(29)42-32-9-5-3-7-30(32)41;1-2-10-22(11-3-1)30-34-31(36-32(35-30)25-12-8-9-21-33-25)23-17-19-24(20-18-23)37-26-13-4-6-15-28(26)38-29-16-7-5-14-27(29)37/h1-28H;1-25H;2-21H;1-21H.
What are the key properties of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine?
10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine has a molecular weight of 2308.80 g/mol, XLogP of 38.23, 19 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenothiazine is sourced from PubChem (CID 158262991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).