10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine

C123H80N18S3 — CID 158949538

IUPAC10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
SMILESc1ccc(-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(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C43H28N6S.C42H27N7S.C38H25N5S/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;1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)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/h1-28H;1-27H;1-25H
InChIKeyJLGCTXKHNVYDGU-UHFFFAOYSA-N
MW1906.32 g/mol
LogP31.13
Rot. Bonds17

About 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine (PubChem CID 158949538) has the molecular formula C123H80N18S3 and a molecular weight of 1906.32 g/mol. Its IUPAC name is 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
PubChem CID158949538
Molecular FormulaC123H80N18S3
Molecular Weight1906.32 g/mol
Exact Mass1904.60
IUPAC Name10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
SMILESc1ccc(-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(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C43H28N6S.C42H27N7S.C38H25N5S/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;1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)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/h1-28H;1-27H;1-25H
InChIKeyJLGCTXKHNVYDGU-UHFFFAOYSA-N
XLogP31.13
TPSA203.07 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001906.32
LogP ≤ 531.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine with MolForge

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Related Compounds

10-[4-(4-dibenzofuran-2-yl-6-phenyl-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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 159949835
10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
10-[4-[1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]cyclohexyl]phenyl]phenothiazine
CID 146982831
10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylnaphthalen-1-yl]phenothiazine
CID 129290643
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
10-[4-[4-(9H-acridin-10-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291751
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 159416067
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360

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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine (CID 158949538) is 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine is 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(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine?
The InChIKey is JLGCTXKHNVYDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6S.C42H27N7S.C38H25N5S/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;1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)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/h1-28H;1-27H;1-25H.
What are the key properties of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine has a molecular weight of 1906.32 g/mol, XLogP of 31.13, 17 rotatable bonds, 0 hydrogen bond donors, and 21 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;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine is sourced from PubChem (CID 158949538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).