10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine

C30H19N3S — CID 130396182

IUPAC10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ncc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C30H19N3S/c1-2-8-24-20(7-1)13-14-22-19-31-30(32-29(22)24)21-15-17-23(18-16-21)33-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)33/h1-19H
InChIKeyOQDYTGMJEBVKCL-UHFFFAOYSA-N
MW453.57 g/mol
LogP8.38
Rot. Bonds2

About 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine

10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine (PubChem CID 130396182) has the molecular formula C30H19N3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
PubChem CID130396182
Molecular FormulaC30H19N3S
Molecular Weight453.57 g/mol
Exact Mass453.13
IUPAC Name10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ncc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C30H19N3S/c1-2-8-24-20(7-1)13-14-22-19-31-30(32-29(22)24)21-15-17-23(18-16-21)33-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)33/h1-19H
InChIKeyOQDYTGMJEBVKCL-UHFFFAOYSA-N
XLogP8.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-(4-quinazolin-2-ylphenyl)phenothiazine
CID 130396246
10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
CID 130396306
10-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine
CID 138493324
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
CID 141434054
10-[4-[4-[3-(4-phenothiazin-10-ylphenyl)-4-pyridinyl]-3-pyridinyl]phenyl]phenothiazine
CID 122433873
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
CID 155791240
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
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

Frequently Asked Questions

What is the IUPAC name of 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine?
The IUPAC name of 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine (CID 130396182) is 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine.
What is the SMILES notation for 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine?
The canonical SMILES for 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ncc3ccc4ccccc4c3n2)cc1.
What is the InChIKey of 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine?
The InChIKey is OQDYTGMJEBVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3S/c1-2-8-24-20(7-1)13-14-22-19-31-30(32-29(22)24)21-15-17-23(18-16-21)33-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)33/h1-19H.
What are the key properties of 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine?
10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine has a molecular weight of 453.57 g/mol, XLogP of 8.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine is sourced from PubChem (CID 130396182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).