2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline

C48H28N2O2 — CID 155326658

IUPAC2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
SMILESc1cc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)nc4ccccc34)cc2)c2c(c1)ccc1c3ccccc3oc12
InChIInChI=1S/C48H28N2O2/c1-4-13-41-40(11-1)46(50-48(49-41)33-22-16-29(17-23-33)34-25-26-38-36-9-2-5-14-42(36)51-44(38)28-34)32-20-18-30(19-21-32)35-12-7-8-31-24-27-39-37-10-3-6-15-43(37)52-47(39)45(31)35/h1-28H
InChIKeyFQOUQTLUVYYFQI-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.25
Rot. Bonds4

About 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline

2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline (PubChem CID 155326658) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline.

Molecular Properties

Compound Name2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
PubChem CID155326658
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
SMILESc1cc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)nc4ccccc34)cc2)c2c(c1)ccc1c3ccccc3oc12
InChIInChI=1S/C48H28N2O2/c1-4-13-41-40(11-1)46(50-48(49-41)33-22-16-29(17-23-33)34-25-26-38-36-9-2-5-14-42(36)51-44(38)28-34)32-20-18-30(19-21-32)35-12-7-8-31-24-27-39-37-10-3-6-15-43(37)52-47(39)45(31)35/h1-28H
InChIKeyFQOUQTLUVYYFQI-UHFFFAOYSA-N
XLogP13.25
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline
CID 155326617
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
2-naphtho[1,2-b][1]benzofuran-1-yl-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 163623403
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline?
The IUPAC name of 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline (CID 155326658) is 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline.
What is the SMILES notation for 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline?
The canonical SMILES for 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline is c1cc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)nc4ccccc34)cc2)c2c(c1)ccc1c3ccccc3oc12.
What is the InChIKey of 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline?
The InChIKey is FQOUQTLUVYYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-4-13-41-40(11-1)46(50-48(49-41)33-22-16-29(17-23-33)34-25-26-38-36-9-2-5-14-42(36)51-44(38)28-34)32-20-18-30(19-21-32)35-12-7-8-31-24-27-39-37-10-3-6-15-43(37)52-47(39)45(31)35/h1-28H.
What are the key properties of 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline?
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline has a molecular weight of 664.76 g/mol, XLogP of 13.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline is sourced from PubChem (CID 155326658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).