4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline

C40H24N2O — CID 167402970

IUPAC4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c4ccccc4c23)cc1
InChIInChI=1S/C40H24N2O/c1-2-10-25(11-3-1)28-20-21-33-36(23-28)43-37-24-34(30-14-6-7-15-31(30)38(33)37)40-41-35-17-9-8-16-32(35)39(42-40)29-19-18-26-12-4-5-13-27(26)22-29/h1-24H
InChIKeyQCZBKBRNFQBMOG-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline

4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline (PubChem CID 167402970) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline
PubChem CID167402970
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c4ccccc4c23)cc1
InChIInChI=1S/C40H24N2O/c1-2-10-25(11-3-1)28-20-21-33-36(23-28)43-37-24-34(30-14-6-7-15-31(30)38(33)37)40-41-35-17-9-8-16-32(35)39(42-40)29-19-18-26-12-4-5-13-27(26)22-29/h1-24H
InChIKeyQCZBKBRNFQBMOG-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-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402174
4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine
CID 167143910
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402770
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 156558207
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
4-dibenzofuran-1-yl-2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-2-phenylquinazoline;2-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-4-phenylquinazoline
CID 167694805
6-naphthalen-2-yl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665741
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline?
The IUPAC name of 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline (CID 167402970) is 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline.
What is the SMILES notation for 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline?
The canonical SMILES for 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline is c1ccc(-c2ccc3c(c2)oc2cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c4ccccc4c23)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline?
The InChIKey is QCZBKBRNFQBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-10-25(11-3-1)28-20-21-33-36(23-28)43-37-24-34(30-14-6-7-15-31(30)38(33)37)40-41-35-17-9-8-16-32(35)39(42-40)29-19-18-26-12-4-5-13-27(26)22-29/h1-24H.
What are the key properties of 4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline?
4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-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-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline is sourced from PubChem (CID 167402970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).