4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine

C53H34N2O2 — CID 142561006

IUPAC4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2O2/c1-5-17-35(18-6-1)45-34-46(55-52(54-45)36-19-7-2-8-20-36)38-22-15-21-37(33-38)41-28-16-30-47-50(41)56-48-32-31-44-49(51(48)57-47)42-27-13-14-29-43(42)53(44,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-34H
InChIKeyDERZBDKAKPOUAL-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.41
Rot. Bonds6

About 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 142561006) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID142561006
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2O2/c1-5-17-35(18-6-1)45-34-46(55-52(54-45)36-19-7-2-8-20-36)38-22-15-21-37(33-38)41-28-16-30-47-50(41)56-48-32-31-44-49(51(48)57-47)42-27-13-14-29-43(42)53(44,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-34H
InChIKeyDERZBDKAKPOUAL-UHFFFAOYSA-N
XLogP13.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138575631
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 138575816
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine
CID 138576055
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575185
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575186
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575105
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine (CID 142561006) is 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is DERZBDKAKPOUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-5-17-35(18-6-1)45-34-46(55-52(54-45)36-19-7-2-8-20-36)38-22-15-21-37(33-38)41-28-16-30-47-50(41)56-48-32-31-44-49(51(48)57-47)42-27-13-14-29-43(42)53(44,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-34H.
What are the key properties of 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 730.87 g/mol, XLogP of 13.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 142561006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).