4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C34H21FN2O — CID 153136546

IUPAC4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C34H21FN2O/c35-30-27(22-12-4-1-5-13-22)20-25(21-28(30)23-14-6-2-7-15-23)31-33-32(26-18-10-11-19-29(26)38-33)37-34(36-31)24-16-8-3-9-17-24/h1-21H
InChIKeyVXUDABUHXCZMSH-UHFFFAOYSA-N
MW492.55 g/mol
LogP9.18
Rot. Bonds4

About 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 153136546) has the molecular formula C34H21FN2O and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID153136546
Molecular FormulaC34H21FN2O
Molecular Weight492.55 g/mol
Exact Mass492.16
IUPAC Name4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C34H21FN2O/c35-30-27(22-12-4-1-5-13-22)20-25(21-28(30)23-14-6-2-7-15-23)31-33-32(26-18-10-11-19-29(26)38-33)37-34(36-31)24-16-8-3-9-17-24/h1-21H
InChIKeyVXUDABUHXCZMSH-UHFFFAOYSA-N
XLogP9.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 153136546) is 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is Fc1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1-c1ccccc1.
What is the InChIKey of 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VXUDABUHXCZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21FN2O/c35-30-27(22-12-4-1-5-13-22)20-25(21-28(30)23-14-6-2-7-15-23)31-33-32(26-18-10-11-19-29(26)38-33)37-34(36-31)24-16-8-3-9-17-24/h1-21H.
What are the key properties of 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 492.55 g/mol, XLogP of 9.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 153136546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).