2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine

C50H34N2O — CID 167113780

IUPAC2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine
SMILESC1=CC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)Cc2oc3c(cc(-c4cccc(-c5ccccc5)c4)c4ccccc43)c21
InChIInChI=1S/C50H34N2O/c1-4-13-33(14-5-1)38-19-12-20-40(29-38)44-31-45-42-28-27-39(30-48(42)53-49(45)43-22-11-10-21-41(43)44)34-23-25-36(26-24-34)47-32-46(35-15-6-2-7-16-35)51-50(52-47)37-17-8-3-9-18-37/h1-29,31-32,39H,30H2
InChIKeyCOAJKNQTFYFCAA-UHFFFAOYSA-N
MW678.84 g/mol
LogP13.06
Rot. Bonds6

About 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine

2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine (PubChem CID 167113780) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine
PubChem CID167113780
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Name2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine
SMILESC1=CC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)Cc2oc3c(cc(-c4cccc(-c5ccccc5)c4)c4ccccc43)c21
InChIInChI=1S/C50H34N2O/c1-4-13-33(14-5-1)38-19-12-20-40(29-38)44-31-45-42-28-27-39(30-48(42)53-49(45)43-22-11-10-21-41(43)44)34-23-25-36(26-24-34)47-32-46(35-15-6-2-7-16-35)51-50(52-47)37-17-8-3-9-18-37/h1-29,31-32,39H,30H2
InChIKeyCOAJKNQTFYFCAA-UHFFFAOYSA-N
XLogP13.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 164834762
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
CID 164834780
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]pyrimidine
CID 164835302
2,4-diphenyl-6-[3-[3-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]phenyl]pyrimidine
CID 164835343
2,4-diphenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834906
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
4-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613908

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine (CID 167113780) is 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine is C1=CC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)Cc2oc3c(cc(-c4cccc(-c5ccccc5)c4)c4ccccc43)c21.
What is the InChIKey of 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine?
The InChIKey is COAJKNQTFYFCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-4-13-33(14-5-1)38-19-12-20-40(29-38)44-31-45-42-28-27-39(30-48(42)53-49(45)43-22-11-10-21-41(43)44)34-23-25-36(26-24-34)47-32-46(35-15-6-2-7-16-35)51-50(52-47)37-17-8-3-9-18-37/h1-29,31-32,39H,30H2.
What are the key properties of 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine?
2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine has a molecular weight of 678.84 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine is sourced from PubChem (CID 167113780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).