10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine

C54H34N4S — CID 142324169

IUPAC10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6S7)cc5)cc4c4c5ccccc5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C54H34N4S/c1-3-14-38(15-4-1)53-43-19-9-10-20-45(43)55-54(56-53)58-46-30-28-39(33-44(46)52-42-18-8-7-13-37(42)27-31-48(52)58)35-23-25-36(26-24-35)40-29-32-51-49(34-40)57(41-16-5-2-6-17-41)47-21-11-12-22-50(47)59-51/h1-34H
InChIKeyMFENXVYJLKYORT-UHFFFAOYSA-N
MW770.96 g/mol
LogP14.82
Rot. Bonds5

About 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine

10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine (PubChem CID 142324169) has the molecular formula C54H34N4S and a molecular weight of 770.96 g/mol. Its IUPAC name is 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
PubChem CID142324169
Molecular FormulaC54H34N4S
Molecular Weight770.96 g/mol
Exact Mass770.25
IUPAC Name10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6S7)cc5)cc4c4c5ccccc5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C54H34N4S/c1-3-14-38(15-4-1)53-43-19-9-10-20-45(43)55-54(56-53)58-46-30-28-39(33-44(46)52-42-18-8-7-13-37(42)27-31-48(52)58)35-23-25-36(26-24-35)40-29-32-51-49(34-40)57(41-16-5-2-6-17-41)47-21-11-12-22-50(47)59-51/h1-34H
InChIKeyMFENXVYJLKYORT-UHFFFAOYSA-N
XLogP14.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.96
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717
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
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
15-[10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-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 129297370
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine?
The IUPAC name of 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine (CID 142324169) is 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine?
The canonical SMILES for 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine is c1ccc(-c2nc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6S7)cc5)cc4c4c5ccccc5ccc43)nc3ccccc23)cc1.
What is the InChIKey of 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine?
The InChIKey is MFENXVYJLKYORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4S/c1-3-14-38(15-4-1)53-43-19-9-10-20-45(43)55-54(56-53)58-46-30-28-39(33-44(46)52-42-18-8-7-13-37(42)27-31-48(52)58)35-23-25-36(26-24-35)40-29-32-51-49(34-40)57(41-16-5-2-6-17-41)47-21-11-12-22-50(47)59-51/h1-34H.
What are the key properties of 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine?
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine has a molecular weight of 770.96 g/mol, XLogP of 14.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine is sourced from PubChem (CID 142324169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).