4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C44H26N2O2 — CID 176818364

IUPAC4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)c4oc5ccccc5c4n3)c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-13-27(14-4-1)29-17-11-18-30(25-29)44-45-39-34-21-9-10-24-38(34)47-43(39)40(46-44)35-23-12-22-33-37-26-36(28-15-5-2-6-16-28)31-19-7-8-20-32(31)42(37)48-41(33)35/h1-26H
InChIKeyWKSWKFFTDRXXRP-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

About 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 176818364) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID176818364
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)c4oc5ccccc5c4n3)c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-13-27(14-4-1)29-17-11-18-30(25-29)44-45-39-34-21-9-10-24-38(34)47-43(39)40(46-44)35-23-12-22-33-37-26-36(28-15-5-2-6-16-28)31-19-7-8-20-32(31)42(37)48-41(33)35/h1-26H
InChIKeyWKSWKFFTDRXXRP-UHFFFAOYSA-N
XLogP12.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[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

2-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817718
2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489845
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155050360
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388
2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123431759
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 153309581
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155049988

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 176818364) is 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)c4oc5ccccc5c4n3)c2)cc1.
What is the InChIKey of 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WKSWKFFTDRXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-3-13-27(14-4-1)29-17-11-18-30(25-29)44-45-39-34-21-9-10-24-38(34)47-43(39)40(46-44)35-23-12-22-33-37-26-36(28-15-5-2-6-16-28)31-19-7-8-20-32(31)42(37)48-41(33)35/h1-26H.
What are the key properties of 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 614.70 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 176818364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).