4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C39H24N4O — CID 118243365

IUPAC4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ncnc6c5Cc5ccccc5-6)c4)cc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C39H24N4O/c1-2-9-26(10-3-1)39-42-35(38-37(43-39)31-15-6-7-16-33(31)44-38)25-19-17-24(18-20-25)27-12-8-13-29(21-27)34-32-22-28-11-4-5-14-30(28)36(32)41-23-40-34/h1-21,23H,22H2
InChIKeyOMLVBXPTYWHATD-UHFFFAOYSA-N
MW564.65 g/mol
LogP9.41
Rot. Bonds4

About 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 118243365) has the molecular formula C39H24N4O and a molecular weight of 564.65 g/mol. Its IUPAC name is 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID118243365
Molecular FormulaC39H24N4O
Molecular Weight564.65 g/mol
Exact Mass564.20
IUPAC Name4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ncnc6c5Cc5ccccc5-6)c4)cc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C39H24N4O/c1-2-9-26(10-3-1)39-42-35(38-37(43-39)31-15-6-7-16-33(31)44-38)25-19-17-24(18-20-25)27-12-8-13-29(21-27)34-32-22-28-11-4-5-14-30(28)36(32)41-23-40-34/h1-21,23H,22H2
InChIKeyOMLVBXPTYWHATD-UHFFFAOYSA-N
XLogP9.41
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158921700
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
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-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146647718
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
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-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
8-(5-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166726597

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 118243365) is 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ncnc6c5Cc5ccccc5-6)c4)cc3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is OMLVBXPTYWHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O/c1-2-9-26(10-3-1)39-42-35(38-37(43-39)31-15-6-7-16-33(31)44-38)25-19-17-24(18-20-25)27-12-8-13-29(21-27)34-32-22-28-11-4-5-14-30(28)36(32)41-23-40-34/h1-21,23H,22H2.
What are the key properties of 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 564.65 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 118243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).