2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C44H26N2O2 — CID 176818195

IUPAC2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)nc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-12-27(13-4-1)28-22-24-30(25-23-28)40-43-41(34-18-9-10-20-37(34)47-43)46-44(45-40)35-26-36-39-31(29-14-5-2-6-15-29)19-11-21-38(39)48-42(36)33-17-8-7-16-32(33)35/h1-26H
InChIKeyWDXOUYMDIIIRSQ-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

About 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 176818195) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID176818195
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)nc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-12-27(13-4-1)28-22-24-30(25-23-28)40-43-41(34-18-9-10-20-37(34)47-43)46-44(45-40)35-26-36-39-31(29-14-5-2-6-15-29)19-11-21-38(39)48-42(36)33-17-8-7-16-32(33)35/h1-26H
InChIKeyWDXOUYMDIIIRSQ-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

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Related Compounds

4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388
2-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817718
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
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
2-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817701
2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978730
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978316
2-dibenzofuran-1-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818397
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309273
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
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
4-[2-(6,8-diphenyldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile
CID 153355176

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 176818195) is 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)nc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WDXOUYMDIIIRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-3-12-27(13-4-1)28-22-24-30(25-23-28)40-43-41(34-18-9-10-20-37(34)47-43)46-44(45-40)35-26-36-39-31(29-14-5-2-6-15-29)19-11-21-38(39)48-42(36)33-17-8-7-16-32(33)35/h1-26H.
What are the key properties of 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-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 2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 176818195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).