2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline

C38H22N2OS — CID 134594932

IUPAC2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc4sc5ccccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C38H22N2OS/c1-2-10-23(11-3-1)37-27-13-4-7-15-31(27)39-38(40-37)30-21-25(22-35-36(30)28-14-6-9-17-34(28)42-35)24-18-19-33-29(20-24)26-12-5-8-16-32(26)41-33/h1-22H
InChIKeyKYCDVWJTNIEBHI-UHFFFAOYSA-N
MW554.67 g/mol
LogP10.90
Rot. Bonds3

About 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline

2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline (PubChem CID 134594932) has the molecular formula C38H22N2OS and a molecular weight of 554.67 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline
PubChem CID134594932
Molecular FormulaC38H22N2OS
Molecular Weight554.67 g/mol
Exact Mass554.15
IUPAC Name2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc4sc5ccccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C38H22N2OS/c1-2-10-23(11-3-1)37-27-13-4-7-15-31(27)39-38(40-37)30-21-25(22-35-36(30)28-14-6-9-17-34(28)42-35)24-18-19-33-29(20-24)26-12-5-8-16-32(26)41-33/h1-22H
InChIKeyKYCDVWJTNIEBHI-UHFFFAOYSA-N
XLogP10.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline?
The IUPAC name of 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline (CID 134594932) is 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline is c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc4sc5ccccc5c34)nc3ccccc23)cc1.
What is the InChIKey of 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline?
The InChIKey is KYCDVWJTNIEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2OS/c1-2-10-23(11-3-1)37-27-13-4-7-15-31(27)39-38(40-37)30-21-25(22-35-36(30)28-14-6-9-17-34(28)42-35)24-18-19-33-29(20-24)26-12-5-8-16-32(26)41-33/h1-22H.
What are the key properties of 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline?
2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline has a molecular weight of 554.67 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-2-yldibenzothiophen-1-yl)-4-phenylquinazoline is sourced from PubChem (CID 134594932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).