3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C56H36N4O — CID 139307181

IUPAC3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5=NC(c6cccc7c6oc6ccccc67)Nc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C56H36N4O/c1-2-13-38(14-3-1)59-49-22-9-5-15-40(49)46-33-36(27-31-51(46)59)37-28-32-52-47(34-37)41-16-6-10-23-50(41)60(52)39-29-25-35(26-30-39)54-44-18-4-8-21-48(44)57-56(58-54)45-20-12-19-43-42-17-7-11-24-53(42)61-55(43)45/h1-34,56-57H
InChIKeyQLFIKCCNACUCJH-UHFFFAOYSA-N
MW780.93 g/mol
LogP14.41
Rot. Bonds5

About 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 139307181) has the molecular formula C56H36N4O and a molecular weight of 780.93 g/mol. Its IUPAC name is 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID139307181
Molecular FormulaC56H36N4O
Molecular Weight780.93 g/mol
Exact Mass780.29
IUPAC Name3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5=NC(c6cccc7c6oc6ccccc67)Nc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C56H36N4O/c1-2-13-38(14-3-1)59-49-22-9-5-15-40(49)46-33-36(27-31-51(46)59)37-28-32-52-47(34-37)41-16-6-10-23-50(41)60(52)39-29-25-35(26-30-39)54-44-18-4-8-21-48(44)57-56(58-54)45-20-12-19-43-42-17-7-11-24-53(42)61-55(43)45/h1-34,56-57H
InChIKeyQLFIKCCNACUCJH-UHFFFAOYSA-N
XLogP14.41
TPSA47.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 514.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-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

2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 146395683
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-(4-carbazol-9-ylphenyl)-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-(4-dibenzofuran-4-ylphenyl)-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;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 139307181) is 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5=NC(c6cccc7c6oc6ccccc67)Nc6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is QLFIKCCNACUCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O/c1-2-13-38(14-3-1)59-49-22-9-5-15-40(49)46-33-36(27-31-51(46)59)37-28-32-52-47(34-37)41-16-6-10-23-50(41)60(52)39-29-25-35(26-30-39)54-44-18-4-8-21-48(44)57-56(58-54)45-20-12-19-43-42-17-7-11-24-53(42)61-55(43)45/h1-34,56-57H.
What are the key properties of 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 780.93 g/mol, XLogP of 14.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 139307181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).