9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole

C56H35N3OS — CID 166905213

IUPAC9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc5sc6cccc(-c7ccc8nc(-c9cccc%10c9oc9ccccc9%10)nc(-c9ccccc9)c8c7)c6c5c4)ccc32)=CCC1
InChIInChI=1S/C56H35N3OS/c1-3-13-34(14-4-1)54-45-33-37(25-28-47(45)57-56(58-54)43-21-11-20-42-41-18-8-10-23-50(41)60-55(42)43)39-19-12-24-52-53(39)46-32-36(27-30-51(46)61-52)35-26-29-49-44(31-35)40-17-7-9-22-48(40)59(49)38-15-5-2-6-16-38/h1,3-5,7-33H,2,6H2
InChIKeyWVUXFCGQRSDJCS-UHFFFAOYSA-N
MW797.98 g/mol
LogP15.86
Rot. Bonds5

About 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole

9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 166905213) has the molecular formula C56H35N3OS and a molecular weight of 797.98 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole
PubChem CID166905213
Molecular FormulaC56H35N3OS
Molecular Weight797.98 g/mol
Exact Mass797.25
IUPAC Name9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc5sc6cccc(-c7ccc8nc(-c9cccc%10c9oc9ccccc9%10)nc(-c9ccccc9)c8c7)c6c5c4)ccc32)=CCC1
InChIInChI=1S/C56H35N3OS/c1-3-13-34(14-4-1)54-45-33-37(25-28-47(45)57-56(58-54)43-21-11-20-42-41-18-8-10-23-50(41)60-55(42)43)39-19-12-24-52-53(39)46-32-36(27-30-51(46)61-52)35-26-29-49-44(31-35)40-17-7-9-22-48(40)59(49)38-15-5-2-6-16-38/h1,3-5,7-33H,2,6H2
InChIKeyWVUXFCGQRSDJCS-UHFFFAOYSA-N
XLogP15.86
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.98
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole 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

4-phenyl-2-[8-(3-phenylcarbazol-9-yl)dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 149083793
8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167232919
9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154601825
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584
3-dibenzofuran-2-yl-9-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;9-(4-dibenzofuran-4-ylphenyl)-3-[8-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[3-[8-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[8-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159742632
3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159061
3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole
CID 145159176
3-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768306
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole (CID 166905213) is 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole is C1=CC(n2c3ccccc3c3cc(-c4ccc5sc6cccc(-c7ccc8nc(-c9cccc%10c9oc9ccccc9%10)nc(-c9ccccc9)c8c7)c6c5c4)ccc32)=CCC1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is WVUXFCGQRSDJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3OS/c1-3-13-34(14-4-1)54-45-33-37(25-28-47(45)57-56(58-54)43-21-11-20-42-41-18-8-10-23-50(41)60-55(42)43)39-19-12-24-52-53(39)46-32-36(27-30-51(46)61-52)35-26-29-49-44(31-35)40-17-7-9-22-48(40)59(49)38-15-5-2-6-16-38/h1,3-5,7-33H,2,6H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole?
9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole has a molecular weight of 797.98 g/mol, XLogP of 15.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 166905213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).