6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole

C50H31N3S — CID 134219481

IUPAC6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5c6cc(-c7cccc8c7sc7ccccc78)ccc6n(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C50H31N3S/c1-4-13-32(14-5-1)48-43-29-34(24-27-44(43)51-50(52-48)33-15-6-2-7-16-33)35-23-26-39-42-30-36(25-28-45(42)53(46(39)31-35)37-17-8-3-9-18-37)38-20-12-21-41-40-19-10-11-22-47(40)54-49(38)41/h1-31H
InChIKeyJUFDUOPTXHPOGV-UHFFFAOYSA-N
MW705.89 g/mol
LogP13.76
Rot. Bonds5

About 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole

6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole (PubChem CID 134219481) has the molecular formula C50H31N3S and a molecular weight of 705.89 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole
PubChem CID134219481
Molecular FormulaC50H31N3S
Molecular Weight705.89 g/mol
Exact Mass705.22
IUPAC Name6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5c6cc(-c7cccc8c7sc7ccccc78)ccc6n(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C50H31N3S/c1-4-13-32(14-5-1)48-43-29-34(24-27-44(43)51-50(52-48)33-15-6-2-7-16-33)35-23-26-39-42-30-36(25-28-45(42)53(46(39)31-35)37-17-8-3-9-18-37)38-20-12-21-41-40-19-10-11-22-47(40)54-49(38)41/h1-31H
InChIKeyJUFDUOPTXHPOGV-UHFFFAOYSA-N
XLogP13.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.89
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159089
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole
CID 126632050
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159010
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 160994373
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 160929281
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
12-[3-[6-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 126630940
3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159551431
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole?
The IUPAC name of 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole (CID 134219481) is 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole.
What is the SMILES notation for 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole?
The canonical SMILES for 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5c6cc(-c7cccc8c7sc7ccccc78)ccc6n(-c6ccccc6)c5c4)ccc3n2)cc1.
What is the InChIKey of 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole?
The InChIKey is JUFDUOPTXHPOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3S/c1-4-13-32(14-5-1)48-43-29-34(24-27-44(43)51-50(52-48)33-15-6-2-7-16-33)35-23-26-39-42-30-36(25-28-45(42)53(46(39)31-35)37-17-8-3-9-18-37)38-20-12-21-41-40-19-10-11-22-47(40)54-49(38)41/h1-31H.
What are the key properties of 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole?
6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole has a molecular weight of 705.89 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole is sourced from PubChem (CID 134219481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).