3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole

C50H31N3O — CID 145159061

IUPAC3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C50H31N3O/c1-3-13-32(14-4-1)50-51-44-27-25-33(34-26-28-46-42(30-34)39-19-7-9-23-45(39)53(46)37-17-5-2-6-18-37)31-43(44)48(52-50)36-16-11-15-35(29-36)38-21-12-22-41-40-20-8-10-24-47(40)54-49(38)41/h1-31H
InChIKeyWKSRCTOLIWLDQO-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.29
Rot. Bonds5

About 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole

3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole (PubChem CID 145159061) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
PubChem CID145159061
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C50H31N3O/c1-3-13-32(14-4-1)50-51-44-27-25-33(34-26-28-46-42(30-34)39-19-7-9-23-45(39)53(46)37-17-5-2-6-18-37)31-43(44)48(52-50)36-16-11-15-35(29-36)38-21-12-22-41-40-20-8-10-24-47(40)54-49(38)41/h1-31H
InChIKeyWKSRCTOLIWLDQO-UHFFFAOYSA-N
XLogP13.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole
CID 145159176
16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
CID 166584334
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
4-(3-dibenzofuran-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrimido[4,5-b]indole
CID 154010794
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170251153
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158642416

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole (CID 145159061) is 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2)cc1.
What is the InChIKey of 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The InChIKey is WKSRCTOLIWLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-3-13-32(14-4-1)50-51-44-27-25-33(34-26-28-46-42(30-34)39-19-7-9-23-45(39)53(46)37-17-5-2-6-18-37)31-43(44)48(52-50)36-16-11-15-35(29-36)38-21-12-22-41-40-20-8-10-24-47(40)54-49(38)41/h1-31H.
What are the key properties of 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole has a molecular weight of 689.82 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole is sourced from PubChem (CID 145159061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).