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

C40H24N2O — CID 176817603

IUPAC4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c43)c3ccccc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-12-26(13-3-1)33-24-34-37-32(18-10-20-36(37)43-39(34)30-16-7-6-15-29(30)33)40-41-35-19-9-8-17-31(35)38(42-40)28-22-21-25-11-4-5-14-27(25)23-28/h1-24H
InChIKeyHJHVDJTYZXXURC-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

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

4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline (PubChem CID 176817603) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline
PubChem CID176817603
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c43)c3ccccc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-12-26(13-3-1)33-24-34-37-32(18-10-20-36(37)43-39(34)30-16-7-6-15-29(30)33)40-41-35-19-9-8-17-31(35)38(42-40)28-22-21-25-11-4-5-14-27(25)23-28/h1-24H
InChIKeyHJHVDJTYZXXURC-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176817611
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
4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline
CID 169048979
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844444
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-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
CID 176818481
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 169048792
4-(4-naphthalen-2-ylphenyl)-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 169048817
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline?
The IUPAC name of 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline (CID 176817603) is 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline.
What is the SMILES notation for 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline?
The canonical SMILES for 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline is c1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c43)c3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline?
The InChIKey is HJHVDJTYZXXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-12-26(13-3-1)33-24-34-37-32(18-10-20-36(37)43-39(34)30-16-7-6-15-29(30)33)40-41-35-19-9-8-17-31(35)38(42-40)28-22-21-25-11-4-5-14-27(25)23-28/h1-24H.
What are the key properties of 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline?
4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline is sourced from PubChem (CID 176817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).