10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine

C51H33N7S2 — CID 158230002

IUPAC10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccc3ncccc3n2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cnc3cccnc3n2)cc1
InChIInChI=1S/C26H17N3S.C25H16N4S/c1-3-9-25-23(7-1)29(24-8-2-4-10-26(24)30-25)19-13-11-18(12-14-19)20-15-16-21-22(28-20)6-5-17-27-21;1-3-9-23-21(7-1)29(22-8-2-4-10-24(22)30-23)18-13-11-17(12-14-18)20-16-27-19-6-5-15-26-25(19)28-20/h1-17H;1-16H
InChIKeyGEGMBSOTXUIXDH-UHFFFAOYSA-N
MW808.01 g/mol
LogP13.86
Rot. Bonds4

About 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine

10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine (PubChem CID 158230002) has the molecular formula C51H33N7S2 and a molecular weight of 808.01 g/mol. Its IUPAC name is 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine
PubChem CID158230002
Molecular FormulaC51H33N7S2
Molecular Weight808.01 g/mol
Exact Mass807.22
IUPAC Name10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccc3ncccc3n2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cnc3cccnc3n2)cc1
InChIInChI=1S/C26H17N3S.C25H16N4S/c1-3-9-25-23(7-1)29(24-8-2-4-10-26(24)30-25)19-13-11-18(12-14-19)20-15-16-21-22(28-20)6-5-17-27-21;1-3-9-23-21(7-1)29(22-8-2-4-10-24(22)30-23)18-13-11-17(12-14-18)20-16-27-19-6-5-15-26-25(19)28-20/h1-17H;1-16H
InChIKeyGEGMBSOTXUIXDH-UHFFFAOYSA-N
XLogP13.86
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.01
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

10-(4-quinazolin-2-ylphenyl)phenothiazine
CID 130396246
3-(4-iodophenyl)pyrido[2,3-b]pyrazine
CID 118796574
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998
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
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
CID 130396306
10-[4-[4-[3-(4-phenothiazin-10-ylphenyl)-4-pyridinyl]-3-pyridinyl]phenyl]phenothiazine
CID 122433873
10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine
CID 138493324
10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
CID 67307696
10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
CID 130396182
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
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

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine?
The IUPAC name of 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine (CID 158230002) is 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine.
What is the SMILES notation for 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine?
The canonical SMILES for 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccc3ncccc3n2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cnc3cccnc3n2)cc1.
What is the InChIKey of 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine?
The InChIKey is GEGMBSOTXUIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3S.C25H16N4S/c1-3-9-25-23(7-1)29(24-8-2-4-10-26(24)30-25)19-13-11-18(12-14-19)20-15-16-21-22(28-20)6-5-17-27-21;1-3-9-23-21(7-1)29(22-8-2-4-10-24(22)30-23)18-13-11-17(12-14-18)20-16-27-19-6-5-15-26-25(19)28-20/h1-17H;1-16H.
What are the key properties of 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine?
10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine has a molecular weight of 808.01 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine is sourced from PubChem (CID 158230002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).