10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine

C50H32N4S — CID 134476220

IUPAC10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C50H32N4S/c1-3-14-33(15-4-1)49-41-21-7-9-22-42(41)51-50(52-49)54-43-23-10-8-20-39(43)40-28-26-36(31-46(40)54)34-16-13-17-35(30-34)37-27-29-45-48(32-37)55-47-25-12-11-24-44(47)53(45)38-18-5-2-6-19-38/h1-32H
InChIKeyNYZMLHUGZWYDAC-UHFFFAOYSA-N
MW720.90 g/mol
LogP13.66
Rot. Bonds5

About 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine

10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine (PubChem CID 134476220) has the molecular formula C50H32N4S and a molecular weight of 720.90 g/mol. Its IUPAC name is 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
PubChem CID134476220
Molecular FormulaC50H32N4S
Molecular Weight720.90 g/mol
Exact Mass720.23
IUPAC Name10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C50H32N4S/c1-3-14-33(15-4-1)49-41-21-7-9-22-42(41)51-50(52-49)54-43-23-10-8-20-39(43)40-28-26-36(31-46(40)54)34-16-13-17-35(30-34)37-27-29-45-48(32-37)55-47-25-12-11-24-44(47)53(45)38-18-5-2-6-19-38/h1-32H
InChIKeyNYZMLHUGZWYDAC-UHFFFAOYSA-N
XLogP13.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134475897
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[g]carbazol-8-yl]phenyl]phenothiazine
CID 134432147
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine
CID 134475861
10-(3-phenylphenyl)-3-[3-(9-triphenylen-2-ylcarbazol-2-yl)phenyl]phenothiazine
CID 134475869
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
The IUPAC name of 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine (CID 134476220) is 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
The canonical SMILES for 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine is c1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c5)cc43)nc3ccccc23)cc1.
What is the InChIKey of 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
The InChIKey is NYZMLHUGZWYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4S/c1-3-14-33(15-4-1)49-41-21-7-9-22-42(41)51-50(52-49)54-43-23-10-8-20-39(43)40-28-26-36(31-46(40)54)34-16-13-17-35(30-34)37-27-29-45-48(32-37)55-47-25-12-11-24-44(47)53(45)38-18-5-2-6-19-38/h1-32H.
What are the key properties of 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine has a molecular weight of 720.90 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine is sourced from PubChem (CID 134476220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).