7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine

C52H32N2O2 — CID 164569344

IUPAC7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(C2=Nc3c(oc4cc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7cccc9oc%10cccc8c%10c97)c6)c5)ccc34)C(c3ccccc3)N2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-11-31(12-4-1)49-51-50(54-52(53-49)32-13-5-2-6-14-32)42-26-24-38(30-46(42)56-51)36-18-8-16-34(28-36)33-15-7-17-35(27-33)37-23-25-39-40-19-9-21-44-47(40)48-41(43(39)29-37)20-10-22-45(48)55-44/h1-30,49H,(H,53,54)
InChIKeyCDQPUNIRANIRAN-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.85
Rot. Bonds5

About 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine

7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 164569344) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID164569344
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC Name7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(C2=Nc3c(oc4cc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7cccc9oc%10cccc8c%10c97)c6)c5)ccc34)C(c3ccccc3)N2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-11-31(12-4-1)49-51-50(54-52(53-49)32-13-5-2-6-14-32)42-26-24-38(30-46(42)56-51)36-18-8-16-34(28-36)33-15-7-17-35(27-33)37-23-25-39-40-19-9-21-44-47(40)48-41(43(39)29-37)20-10-22-45(48)55-44/h1-30,49H,(H,53,54)
InChIKeyCDQPUNIRANIRAN-UHFFFAOYSA-N
XLogP13.85
TPSA50.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine
CID 147440373
4,6-diphenyl-2-[3-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 164569224
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2-[3-[9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)carbazol-3-yl]phenyl]-4-phenyl-3,4-dihydrobenzo[h]quinazoline
CID 167167261
2-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167167384
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
4-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171051238
4,6-diphenyl-2-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-1,2-dihydropyrimidine
CID 167167379
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine (CID 164569344) is 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine is c1ccc(C2=Nc3c(oc4cc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7cccc9oc%10cccc8c%10c97)c6)c5)ccc34)C(c3ccccc3)N2)cc1.
What is the InChIKey of 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is CDQPUNIRANIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-3-11-31(12-4-1)49-51-50(54-52(53-49)32-13-5-2-6-14-32)42-26-24-38(30-46(42)56-51)36-18-8-16-34(28-36)33-15-7-17-35(27-33)37-23-25-39-40-19-9-21-44-47(40)48-41(43(39)29-37)20-10-22-45(48)55-44/h1-30,49H,(H,53,54).
What are the key properties of 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 716.84 g/mol, XLogP of 13.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 164569344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).