2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline

C50H30N2O2 — CID 156575030

IUPAC2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C50H30N2O2/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)37-27-28-41(50-51-43-20-9-7-17-39(43)47(52-50)34-14-5-2-6-15-34)46-40-19-11-18-36(48(40)54-49(37)46)35-26-29-45-42(30-35)38-16-8-10-21-44(38)53-45/h1-30H
InChIKeyZFYMRXXUNYBCBL-UHFFFAOYSA-N
MW690.80 g/mol
LogP13.76
Rot. Bonds5

About 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline

2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline (PubChem CID 156575030) has the molecular formula C50H30N2O2 and a molecular weight of 690.80 g/mol. Its IUPAC name is 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline
PubChem CID156575030
Molecular FormulaC50H30N2O2
Molecular Weight690.80 g/mol
Exact Mass690.23
IUPAC Name2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C50H30N2O2/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)37-27-28-41(50-51-43-20-9-7-17-39(43)47(52-50)34-14-5-2-6-15-34)46-40-19-11-18-36(48(40)54-49(37)46)35-26-29-45-42(30-35)38-16-8-10-21-44(38)53-45/h1-30H
InChIKeyZFYMRXXUNYBCBL-UHFFFAOYSA-N
XLogP13.76
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742723
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 176617087
2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline
CID 171051285
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818616
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839

Frequently Asked Questions

What is the IUPAC name of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline?
The IUPAC name of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline (CID 156575030) is 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)cc2)cc1.
What is the InChIKey of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline?
The InChIKey is ZFYMRXXUNYBCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O2/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)37-27-28-41(50-51-43-20-9-7-17-39(43)47(52-50)34-14-5-2-6-15-34)46-40-19-11-18-36(48(40)54-49(37)46)35-26-29-45-42(30-35)38-16-8-10-21-44(38)53-45/h1-30H.
What are the key properties of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline?
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline has a molecular weight of 690.80 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 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline is sourced from PubChem (CID 156575030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).