2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline

C44H26N4O — CID 176785298

IUPAC2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)nc56)nc4c3n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-10-27(11-4-1)36-24-21-29-18-19-30-22-25-37(46-42(30)41(29)45-36)34-15-9-16-35-40(28-12-5-2-6-13-28)47-44(48-43(34)35)31-20-23-33-32-14-7-8-17-38(32)49-39(33)26-31/h1-26H
InChIKeyGRVFPWFDJXTSSE-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.29
Rot. Bonds4

About 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline

2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline (PubChem CID 176785298) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline
PubChem CID176785298
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)nc56)nc4c3n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-10-27(11-4-1)36-24-21-29-18-19-30-22-25-37(46-42(30)41(29)45-36)34-15-9-16-35-40(28-12-5-2-6-13-28)47-44(48-43(34)35)31-20-23-33-32-14-7-8-17-38(32)49-39(33)26-31/h1-26H
InChIKeyGRVFPWFDJXTSSE-UHFFFAOYSA-N
XLogP11.29
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline
CID 123240155
2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline
CID 90049952
9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574283
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine
CID 164799736
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline (CID 176785298) is 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc6c(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)nc56)nc4c3n2)cc1.
What is the InChIKey of 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline?
The InChIKey is GRVFPWFDJXTSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-3-10-27(11-4-1)36-24-21-29-18-19-30-22-25-37(46-42(30)41(29)45-36)34-15-9-16-35-40(28-12-5-2-6-13-28)47-44(48-43(34)35)31-20-23-33-32-14-7-8-17-38(32)49-39(33)26-31/h1-26H.
What are the key properties of 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline?
2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline has a molecular weight of 626.72 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 176785298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).