4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline

C46H28N2O — CID 169048979

IUPAC4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4oc5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)cc5c34)c3ccccc3n2)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-32(14-3-1)46-47-41-22-9-8-19-37(41)44(48-46)38-21-11-23-42-43(38)40-28-39(35-17-6-7-18-36(35)45(40)49-42)31-26-24-30(25-27-31)34-20-10-15-29-12-4-5-16-33(29)34/h1-28H
InChIKeyZIXVXSFSOCHWRC-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline

4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline (PubChem CID 169048979) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline
PubChem CID169048979
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4oc5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)cc5c34)c3ccccc3n2)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-32(14-3-1)46-47-41-22-9-8-19-37(41)44(48-46)38-21-11-23-42-43(38)40-28-39(35-17-6-7-18-36(35)45(40)49-42)31-26-24-30(25-27-31)34-20-10-15-29-12-4-5-16-33(29)34/h1-28H
InChIKeyZIXVXSFSOCHWRC-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

2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
CID 176818481
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176818468
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-[4-[4-(8-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164835026
2,4-diphenyl-6-[4-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834896
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532
2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 169048730
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272
2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline
CID 155326617
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline?
The IUPAC name of 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline (CID 169048979) is 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline.
What is the SMILES notation for 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline?
The canonical SMILES for 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline is c1ccc(-c2nc(-c3cccc4oc5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)cc5c34)c3ccccc3n2)cc1.
What is the InChIKey of 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline?
The InChIKey is ZIXVXSFSOCHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-13-32(14-3-1)46-47-41-22-9-8-19-37(41)44(48-46)38-21-11-23-42-43(38)40-28-39(35-17-6-7-18-36(35)45(40)49-42)31-26-24-30(25-27-31)34-20-10-15-29-12-4-5-16-33(29)34/h1-28H.
What are the key properties of 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline?
4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline 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 4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline is sourced from PubChem (CID 169048979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).