10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine

C37H25N5S — CID 147241998

IUPAC10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccccn3)c2-c2ccccn2)cc1
InChIInChI=1S/C37H25N5S/c1-2-12-27(13-3-1)42-36(30-15-9-11-25-39-30)35(29-14-8-10-24-38-29)40-37(42)26-20-22-28(23-21-26)41-31-16-4-6-18-33(31)43-34-19-7-5-17-32(34)41/h1-25H
InChIKeyCKYMTETVEGRHBE-UHFFFAOYSA-N
MW571.71 g/mol
LogP9.60
Rot. Bonds5

About 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine

10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine (PubChem CID 147241998) has the molecular formula C37H25N5S and a molecular weight of 571.71 g/mol. Its IUPAC name is 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
PubChem CID147241998
Molecular FormulaC37H25N5S
Molecular Weight571.71 g/mol
Exact Mass571.18
IUPAC Name10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccccn3)c2-c2ccccn2)cc1
InChIInChI=1S/C37H25N5S/c1-2-12-27(13-3-1)42-36(30-15-9-11-25-39-30)35(29-14-8-10-24-38-29)40-37(42)26-20-22-28(23-21-26)41-31-16-4-6-18-33(31)43-34-19-7-5-17-32(34)41/h1-25H
InChIKeyCKYMTETVEGRHBE-UHFFFAOYSA-N
XLogP9.60
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.71
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 154952867
2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
CID 154952703
acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione
CID 157475136
10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine
CID 163749587
10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
CID 67307696
10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine
CID 118532565
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
CID 89368097
10-(2,6-dipyridin-2-ylphenyl)phenothiazine
CID 145009795
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine
CID 158230002
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-(4-quinazolin-2-ylphenyl)phenothiazine
CID 130396246

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine?
The IUPAC name of 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine (CID 147241998) is 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine is c1ccc(-n2c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccccn3)c2-c2ccccn2)cc1.
What is the InChIKey of 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine?
The InChIKey is CKYMTETVEGRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5S/c1-2-12-27(13-3-1)42-36(30-15-9-11-25-39-30)35(29-14-8-10-24-38-29)40-37(42)26-20-22-28(23-21-26)41-31-16-4-6-18-33(31)43-34-19-7-5-17-32(34)41/h1-25H.
What are the key properties of 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine?
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine has a molecular weight of 571.71 g/mol, XLogP of 9.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine is sourced from PubChem (CID 147241998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).