10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine

C50H34N4S — CID 134475861

IUPAC10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine
SMILESC1=Cc2c(c3cc(-c4ccc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)cc4)ccc3n2-c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C50H34N4S/c1-3-13-35(14-4-1)49-40-18-7-9-19-42(40)51-50(52-49)54-43-20-10-8-17-39(43)41-31-36(27-29-44(41)54)33-23-25-34(26-24-33)37-28-30-46-48(32-37)55-47-22-12-11-21-45(47)53(46)38-15-5-2-6-16-38/h1-7,9-16,18-32H,8,17H2
InChIKeyTYVDCYBHYNWEHC-UHFFFAOYSA-N
MW722.92 g/mol
LogP13.47
Rot. Bonds5

About 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine

10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine (PubChem CID 134475861) has the molecular formula C50H34N4S and a molecular weight of 722.92 g/mol. Its IUPAC name is 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine
PubChem CID134475861
Molecular FormulaC50H34N4S
Molecular Weight722.92 g/mol
Exact Mass722.25
IUPAC Name10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine
SMILESC1=Cc2c(c3cc(-c4ccc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)cc4)ccc3n2-c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C50H34N4S/c1-3-13-35(14-4-1)49-40-18-7-9-19-42(40)51-50(52-49)54-43-20-10-8-17-39(43)41-31-36(27-29-44(41)54)33-23-25-34(26-24-33)37-28-30-46-48(32-37)55-47-22-12-11-21-45(47)53(46)38-15-5-2-6-16-38/h1-7,9-16,18-32H,8,17H2
InChIKeyTYVDCYBHYNWEHC-UHFFFAOYSA-N
XLogP13.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.92
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
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-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
15-[2-[9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]benzo[b]carbazol-5-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 139539298
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 163569923

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine?
The IUPAC name of 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine (CID 134475861) is 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine?
The canonical SMILES for 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine is C1=Cc2c(c3cc(-c4ccc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)cc4)ccc3n2-c2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine?
The InChIKey is TYVDCYBHYNWEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4S/c1-3-13-35(14-4-1)49-40-18-7-9-19-42(40)51-50(52-49)54-43-20-10-8-17-39(43)41-31-36(27-29-44(41)54)33-23-25-34(26-24-33)37-28-30-46-48(32-37)55-47-22-12-11-21-45(47)53(46)38-15-5-2-6-16-38/h1-7,9-16,18-32H,8,17H2.
What are the key properties of 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine?
10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine has a molecular weight of 722.92 g/mol, XLogP of 13.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine is sourced from PubChem (CID 134475861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).