2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine

C43H27N3O — CID 164834999

IUPAC2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5c(oc6cccc(-c7ccccn7)c65)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H27N3O/c1-3-13-28(14-4-1)38-27-39(46-43(45-38)29-15-5-2-6-16-29)31-18-11-17-30(25-31)35-26-36-41-34(37-22-9-10-24-44-37)21-12-23-40(41)47-42(36)33-20-8-7-19-32(33)35/h1-27H
InChIKeyNZRBXGMYCRVPKP-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

About 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (PubChem CID 164834999) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
PubChem CID164834999
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5c(oc6cccc(-c7ccccn7)c65)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H27N3O/c1-3-13-28(14-4-1)38-27-39(46-43(45-38)29-15-5-2-6-16-29)31-18-11-17-30(25-31)35-26-36-41-34(37-22-9-10-24-44-37)21-12-23-40(41)47-42(36)33-20-8-7-19-32(33)35/h1-27H
InChIKeyNZRBXGMYCRVPKP-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]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

2,4-diphenyl-6-[4-[4-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164835177
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818663
4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
4-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077948

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (CID 164834999) is 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc5c(oc6cccc(-c7ccccn7)c65)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The InChIKey is NZRBXGMYCRVPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-3-13-28(14-4-1)38-27-39(46-43(45-38)29-15-5-2-6-16-29)31-18-11-17-30(25-31)35-26-36-41-34(37-22-9-10-24-44-37)21-12-23-40(41)47-42(36)33-20-8-7-19-32(33)35/h1-27H.
What are the key properties of 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 164834999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).