2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline

C46H28N2O — CID 169048982

IUPAC2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4oc5c6ccccc6cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C46H28N2O/c1-2-11-32(12-3-1)44-38-16-8-9-17-41(38)47-46(48-44)36-24-25-42-40(28-36)43-39(27-35-14-6-7-15-37(35)45(43)49-42)31-21-18-30(19-22-31)34-23-20-29-10-4-5-13-33(29)26-34/h1-28H
InChIKeyRKJYLPRMJUNBAX-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline

2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline (PubChem CID 169048982) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline
PubChem CID169048982
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4oc5c6ccccc6cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C46H28N2O/c1-2-11-32(12-3-1)44-38-16-8-9-17-41(38)47-46(48-44)36-24-25-42-40(28-36)43-39(27-35-14-6-7-15-37(35)45(43)49-42)31-21-18-30(19-22-31)34-23-20-29-10-4-5-13-33(29)26-34/h1-28H
InChIKeyRKJYLPRMJUNBAX-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-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinazoline
CID 169048893
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-4-phenylquinazoline
CID 134299709
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 163953072
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
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
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
4-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]quinazoline
CID 166867337
4-(4-naphthalen-2-ylphenyl)-2-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 169048819
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline?
The IUPAC name of 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline (CID 169048982) is 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc4oc5c6ccccc6cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)nc3ccccc23)cc1.
What is the InChIKey of 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline?
The InChIKey is RKJYLPRMJUNBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-11-32(12-3-1)44-38-16-8-9-17-41(38)47-46(48-44)36-24-25-42-40(28-36)43-39(27-35-14-6-7-15-37(35)45(43)49-42)31-21-18-30(19-22-31)34-23-20-29-10-4-5-13-33(29)26-34/h1-28H.
What are the key properties of 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline?
2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-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 2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline is sourced from PubChem (CID 169048982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).