4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine

C62H38N2O2 — CID 164835215

IUPAC4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c(oc7cccc(-c8cccc9c8oc8ccccc89)c76)c6ccccc56)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C62H38N2O2/c1-3-13-39(14-4-1)41-25-31-44(32-26-41)55-38-56(64-62(63-55)46-35-27-42(28-36-46)40-15-5-2-6-16-40)45-33-29-43(30-34-45)53-37-54-59-49(20-12-24-58(59)66-61(54)50-19-8-7-17-47(50)53)52-22-11-21-51-48-18-9-10-23-57(48)65-60(51)52/h1-38H
InChIKeyDLYCESUEBQCIAU-UHFFFAOYSA-N
MW843.00 g/mol
LogP17.10
Rot. Bonds7

About 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine

4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine (PubChem CID 164835215) has the molecular formula C62H38N2O2 and a molecular weight of 843.00 g/mol. Its IUPAC name is 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
PubChem CID164835215
Molecular FormulaC62H38N2O2
Molecular Weight843.00 g/mol
Exact Mass842.29
IUPAC Name4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c(oc7cccc(-c8cccc9c8oc8ccccc89)c76)c6ccccc56)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C62H38N2O2/c1-3-13-39(14-4-1)41-25-31-44(32-26-41)55-38-56(64-62(63-55)46-35-27-42(28-36-46)40-15-5-2-6-16-40)45-33-29-43(30-34-45)53-37-54-59-49(20-12-24-58(59)66-61(54)50-19-8-7-17-47(50)53)52-22-11-21-51-48-18-9-10-23-57(48)65-60(51)52/h1-38H
InChIKeyDLYCESUEBQCIAU-UHFFFAOYSA-N
XLogP17.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818663
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine
CID 166952428
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079215

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine (CID 164835215) is 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c(oc7cccc(-c8cccc9c8oc8ccccc89)c76)c6ccccc56)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine?
The InChIKey is DLYCESUEBQCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O2/c1-3-13-39(14-4-1)41-25-31-44(32-26-41)55-38-56(64-62(63-55)46-35-27-42(28-36-46)40-15-5-2-6-16-40)45-33-29-43(30-34-45)53-37-54-59-49(20-12-24-58(59)66-61(54)50-19-8-7-17-47(50)53)52-22-11-21-51-48-18-9-10-23-57(48)65-60(51)52/h1-38H.
What are the key properties of 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine?
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine has a molecular weight of 843.00 g/mol, XLogP of 17.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 164835215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).