2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C42H24N2O2 — CID 170182960

IUPAC2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c5c(cccc35)-c3ccc(-c5ccc6ccccc6c5)cc3O4)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C42H24N2O2/c1-2-10-26(11-3-1)39-41-40(34-13-6-7-16-35(34)46-41)44-42(43-39)33-21-22-36-38-31(14-8-15-32(33)38)30-20-19-29(24-37(30)45-36)28-18-17-25-9-4-5-12-27(25)23-28/h1-24H
InChIKeyIETUMEYTAWMWHL-UHFFFAOYSA-N
MW588.67 g/mol
LogP11.46
Rot. Bonds3

About 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170182960) has the molecular formula C42H24N2O2 and a molecular weight of 588.67 g/mol. Its IUPAC name is 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170182960
Molecular FormulaC42H24N2O2
Molecular Weight588.67 g/mol
Exact Mass588.18
IUPAC Name2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c5c(cccc35)-c3ccc(-c5ccc6ccccc6c5)cc3O4)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C42H24N2O2/c1-2-10-26(11-3-1)39-41-40(34-13-6-7-16-35(34)46-41)44-42(43-39)33-21-22-36-38-31(14-8-15-32(33)38)30-20-19-29(24-37(30)45-36)28-18-17-25-9-4-5-12-27(25)23-28/h1-24H
InChIKeyIETUMEYTAWMWHL-UHFFFAOYSA-N
XLogP11.46
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(5-dibenzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170182961
2-(6,18-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 161419292
4-naphthalen-2-yl-2-(5-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170182955
4-phenyl-2-(5-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)quinazoline
CID 170182949
2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092567
4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092498
4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 164829303
2-[4-(4-naphthalen-2-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl]-4,6-diphenyl-1,3,5-triazine
CID 170183075
2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092511
2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092573

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 170182960) is 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4c5c(cccc35)-c3ccc(-c5ccc6ccccc6c5)cc3O4)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is IETUMEYTAWMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2O2/c1-2-10-26(11-3-1)39-41-40(34-13-6-7-16-35(34)46-41)44-42(43-39)33-21-22-36-38-31(14-8-15-32(33)38)30-20-19-29(24-37(30)45-36)28-18-17-25-9-4-5-12-27(25)23-28/h1-24H.
What are the key properties of 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 588.67 g/mol, XLogP of 11.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170182960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).