10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine

C64H40N10S2 — CID 129291643

IUPAC10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Sc5ccccc54)c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C64H40N10S2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-33-43(31-45(35-47)51-37-53(49-17-9-11-29-67-49)71-63(69-51)41-15-13-27-65-39-41)44-32-46(36-48(34-44)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)52-38-54(50-18-10-12-30-68-50)72-64(70-52)42-16-14-28-66-40-42/h1-40H
InChIKeyWSTXEBWHCUUJBI-UHFFFAOYSA-N
MW1013.23 g/mol
LogP16.38
Rot. Bonds9

About 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine

10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine (PubChem CID 129291643) has the molecular formula C64H40N10S2 and a molecular weight of 1013.23 g/mol. Its IUPAC name is 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
PubChem CID129291643
Molecular FormulaC64H40N10S2
Molecular Weight1013.23 g/mol
Exact Mass1012.29
IUPAC Name10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Sc5ccccc54)c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C64H40N10S2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-33-43(31-45(35-47)51-37-53(49-17-9-11-29-67-49)71-63(69-51)41-15-13-27-65-39-41)44-32-46(36-48(34-44)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)52-38-54(50-18-10-12-30-68-50)72-64(70-52)42-16-14-28-66-40-42/h1-40H
InChIKeyWSTXEBWHCUUJBI-UHFFFAOYSA-N
XLogP16.38
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.23
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine with MolForge

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Related Compounds

10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 158333757
5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 129291637
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
CID 89368097
10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
CID 67307696
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793866
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-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
CID 129290650
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
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

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine?
The IUPAC name of 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine (CID 129291643) is 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine is c1ccc(-c2cc(-c3cc(-c4cc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Sc5ccccc54)c3)nc(-c3cccnc3)n2)nc1.
What is the InChIKey of 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine?
The InChIKey is WSTXEBWHCUUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10S2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-33-43(31-45(35-47)51-37-53(49-17-9-11-29-67-49)71-63(69-51)41-15-13-27-65-39-41)44-32-46(36-48(34-44)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)52-38-54(50-18-10-12-30-68-50)72-64(70-52)42-16-14-28-66-40-42/h1-40H.
What are the key properties of 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine?
10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine has a molecular weight of 1013.23 g/mol, XLogP of 16.38, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine is sourced from PubChem (CID 129291643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).