2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine

C52H32N8O — CID 121422438

IUPAC2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-c4cccc5c4oc4c(-c6cnc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)nc6)cccc45)cn3)n2)cc1
InChIInChI=1S/C52H32N8O/c1-5-15-33(16-6-1)43-27-44(34-17-7-2-8-18-34)58-51(57-43)49-53-29-37(30-54-49)39-23-13-25-41-42-26-14-24-40(48(42)61-47(39)41)38-31-55-50(56-32-38)52-59-45(35-19-9-3-10-20-35)28-46(60-52)36-21-11-4-12-22-36/h1-32H
InChIKeyXRVGTTOSSRXVGP-UHFFFAOYSA-N
MW784.88 g/mol
LogP12.08
Rot. Bonds8

About 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine

2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine (PubChem CID 121422438) has the molecular formula C52H32N8O and a molecular weight of 784.88 g/mol. Its IUPAC name is 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine
PubChem CID121422438
Molecular FormulaC52H32N8O
Molecular Weight784.88 g/mol
Exact Mass784.27
IUPAC Name2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-c4cccc5c4oc4c(-c6cnc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)nc6)cccc45)cn3)n2)cc1
InChIInChI=1S/C52H32N8O/c1-5-15-33(16-6-1)43-27-44(34-17-7-2-8-18-34)58-51(57-43)49-53-29-37(30-54-49)39-23-13-25-41-42-26-14-24-40(48(42)61-47(39)41)38-31-55-50(56-32-38)52-59-45(35-19-9-3-10-20-35)28-46(60-52)36-21-11-4-12-22-36/h1-32H
InChIKeyXRVGTTOSSRXVGP-UHFFFAOYSA-N
XLogP12.08
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.88
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

2-[3-[18-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]phenyl]-4,6-diphenylpyrimidine
CID 59147414
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
CID 164834780
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
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
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine
CID 123394368
3-[6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]pyrimidin-4-yl]isoquinoline
CID 156575031
2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 129223980
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153263520

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine (CID 121422438) is 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-c4cccc5c4oc4c(-c6cnc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)nc6)cccc45)cn3)n2)cc1.
What is the InChIKey of 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine?
The InChIKey is XRVGTTOSSRXVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N8O/c1-5-15-33(16-6-1)43-27-44(34-17-7-2-8-18-34)58-51(57-43)49-53-29-37(30-54-49)39-23-13-25-41-42-26-14-24-40(48(42)61-47(39)41)38-31-55-50(56-32-38)52-59-45(35-19-9-3-10-20-35)28-46(60-52)36-21-11-4-12-22-36/h1-32H.
What are the key properties of 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine?
2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine has a molecular weight of 784.88 g/mol, XLogP of 12.08, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 121422438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).