10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine

C52H32N4S — CID 134432144

IUPAC10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cccc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)c43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C52H32N4S/c1-3-16-35(17-4-1)49-42-29-26-34-15-8-10-21-39(34)50(42)54-52(53-49)56-45-31-27-33-14-7-9-20-38(33)48(45)41-23-13-22-40(51(41)56)36-28-30-44-47(32-36)57-46-25-12-11-24-43(46)55(44)37-18-5-2-6-19-37/h1-32H
InChIKeyLXDKGVPBFRLORE-UHFFFAOYSA-N
MW744.92 g/mol
LogP14.30
Rot. Bonds4

About 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine

10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine (PubChem CID 134432144) has the molecular formula C52H32N4S and a molecular weight of 744.92 g/mol. Its IUPAC name is 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine.

Molecular Properties

Compound Name10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine
PubChem CID134432144
Molecular FormulaC52H32N4S
Molecular Weight744.92 g/mol
Exact Mass744.23
IUPAC Name10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cccc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)c43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C52H32N4S/c1-3-16-35(17-4-1)49-42-29-26-34-15-8-10-21-39(34)50(42)54-52(53-49)56-45-31-27-33-14-7-9-20-38(33)48(45)41-23-13-22-40(51(41)56)36-28-30-44-47(32-36)57-46-25-12-11-24-43(46)55(44)37-18-5-2-6-19-37/h1-32H
InChIKeyLXDKGVPBFRLORE-UHFFFAOYSA-N
XLogP14.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[g]carbazol-8-yl]phenyl]phenothiazine
CID 134432147
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431562
6-(4-phenylbenzo[h]quinazolin-2-yl)-18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaene
CID 160502004
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
3-[7-[4-[4-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]phenyl]quinazolin-2-yl]benzo[c]carbazol-11-yl]-10-phenylphenothiazine
CID 142324504

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine?
The IUPAC name of 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine (CID 134432144) is 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine.
What is the SMILES notation for 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine?
The canonical SMILES for 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine is c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cccc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)c43)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine?
The InChIKey is LXDKGVPBFRLORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S/c1-3-16-35(17-4-1)49-42-29-26-34-15-8-10-21-39(34)50(42)54-52(53-49)56-45-31-27-33-14-7-9-20-38(33)48(45)41-23-13-22-40(51(41)56)36-28-30-44-47(32-36)57-46-25-12-11-24-43(46)55(44)37-18-5-2-6-19-37/h1-32H.
What are the key properties of 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine?
10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine has a molecular weight of 744.92 g/mol, XLogP of 14.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine is sourced from PubChem (CID 134432144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).