2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline

C46H28N2O — CID 169049009

IUPAC2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5c(oc6cccc(-c7ccc8ccccc8c7)c65)c5ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H28N2O/c1-2-11-29(12-3-1)31-21-24-32(25-22-31)44-38-17-8-9-19-41(38)47-46(48-44)39-28-40-43-35(34-26-23-30-13-4-5-14-33(30)27-34)18-10-20-42(43)49-45(40)37-16-7-6-15-36(37)39/h1-28H
InChIKeyQJEHBIIXPOTSGU-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline

2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline (PubChem CID 169049009) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
PubChem CID169049009
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5c(oc6cccc(-c7ccc8ccccc8c7)c65)c5ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H28N2O/c1-2-11-29(12-3-1)31-21-24-32(25-22-31)44-38-17-8-9-19-41(38)47-46(48-44)39-28-40-43-35(34-26-23-30-13-4-5-14-33(30)27-34)18-10-20-42(43)49-45(40)37-16-7-6-15-36(37)39/h1-28H
InChIKeyQJEHBIIXPOTSGU-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline
CID 176817603
2-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046
2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
CID 176818481
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818195
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176817611
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline
CID 169048979
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
2,4-dinaphthalen-2-yl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176817948
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 169048730

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline (CID 169049009) is 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3nc(-c4cc5c(oc6cccc(-c7ccc8ccccc8c7)c65)c5ccccc45)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline?
The InChIKey is QJEHBIIXPOTSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-11-29(12-3-1)31-21-24-32(25-22-31)44-38-17-8-9-19-41(38)47-46(48-44)39-28-40-43-35(34-26-23-30-13-4-5-14-33(30)27-34)18-10-20-42(43)49-45(40)37-16-7-6-15-36(37)39/h1-28H.
What are the key properties of 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline?
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline has a molecular weight of 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 169049009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).