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

C56H34N4OS — CID 134475897

IUPAC10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6cccc7c6oc6ccccc67)c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C56H34N4OS/c1-2-14-35(15-3-1)54-44-20-4-7-22-45(44)57-56(58-54)60-46-23-8-5-18-40(46)41-30-28-38(33-50(41)60)36-16-12-17-37(32-36)39-29-31-48-53(34-39)62-52-27-11-9-24-47(52)59(48)49-25-13-21-43-42-19-6-10-26-51(42)61-55(43)49/h1-34H
InChIKeyDXBWJACARCWRDR-UHFFFAOYSA-N
MW810.98 g/mol
LogP15.56
Rot. Bonds5

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

10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine (PubChem CID 134475897) has the molecular formula C56H34N4OS and a molecular weight of 810.98 g/mol. Its IUPAC name is 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
PubChem CID134475897
Molecular FormulaC56H34N4OS
Molecular Weight810.98 g/mol
Exact Mass810.25
IUPAC Name10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6cccc7c6oc6ccccc67)c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C56H34N4OS/c1-2-14-35(15-3-1)54-44-20-4-7-22-45(44)57-56(58-54)60-46-23-8-5-18-40(46)41-30-28-38(33-50(41)60)36-16-12-17-37(32-36)39-29-31-48-53(34-39)62-52-27-11-9-24-47(52)59(48)49-25-13-21-43-42-19-6-10-26-51(42)61-55(43)49/h1-34H
InChIKeyDXBWJACARCWRDR-UHFFFAOYSA-N
XLogP15.56
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
CID 134475813
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
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
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142569509
4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline
CID 134476211
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
The IUPAC name of 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine (CID 134475897) is 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
The canonical SMILES for 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine is c1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6cccc7c6oc6ccccc67)c5)cc43)nc3ccccc23)cc1.
What is the InChIKey of 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
The InChIKey is DXBWJACARCWRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4OS/c1-2-14-35(15-3-1)54-44-20-4-7-22-45(44)57-56(58-54)60-46-23-8-5-18-40(46)41-30-28-38(33-50(41)60)36-16-12-17-37(32-36)39-29-31-48-53(34-39)62-52-27-11-9-24-47(52)59(48)49-25-13-21-43-42-19-6-10-26-51(42)61-55(43)49/h1-34H.
What are the key properties of 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine?
10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine has a molecular weight of 810.98 g/mol, XLogP of 15.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine is sourced from PubChem (CID 134475897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).