2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine

C55H36N2O3 — CID 138575270

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c2)O1
InChIInChI=1S/C55H36N2O3/c1-55(2)43-22-8-6-18-42(43)50-44(55)29-30-49-53(50)60-52-39(20-12-24-48(52)58-49)36-15-10-16-37(31-36)46-32-45(34-13-4-3-5-14-34)56-54(57-46)35-27-25-33(26-28-35)38-19-11-21-41-40-17-7-9-23-47(40)59-51(38)41/h3-32H,1-2H3
InChIKeyUKRZCYKAOWEDAM-UHFFFAOYSA-N
MW772.90 g/mol
LogP14.92
Rot. Bonds5

About 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine

2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine (PubChem CID 138575270) has the molecular formula C55H36N2O3 and a molecular weight of 772.90 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
PubChem CID138575270
Molecular FormulaC55H36N2O3
Molecular Weight772.90 g/mol
Exact Mass772.27
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c2)O1
InChIInChI=1S/C55H36N2O3/c1-55(2)43-22-8-6-18-42(43)50-44(55)29-30-49-53(50)60-52-39(20-12-24-48(52)58-49)36-15-10-16-37(31-36)46-32-45(34-13-4-3-5-14-34)56-54(57-46)35-27-25-33(26-28-35)38-19-11-21-41-40-17-7-9-23-47(40)59-51(38)41/h3-32H,1-2H3
InChIKeyUKRZCYKAOWEDAM-UHFFFAOYSA-N
XLogP14.92
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.90
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575396
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575105
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575029
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585452
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575721
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylxanthene-4-carbonitrile
CID 163849567
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine (CID 138575270) is 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c2)O1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
The InChIKey is UKRZCYKAOWEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O3/c1-55(2)43-22-8-6-18-42(43)50-44(55)29-30-49-53(50)60-52-39(20-12-24-48(52)58-49)36-15-10-16-37(31-36)46-32-45(34-13-4-3-5-14-34)56-54(57-46)35-27-25-33(26-28-35)38-19-11-21-41-40-17-7-9-23-47(40)59-51(38)41/h3-32H,1-2H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine has a molecular weight of 772.90 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 138575270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).