2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine

C43H30N2O — CID 140907327

IUPAC2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)cc13
InChIInChI=1S/C43H30N2O/c1-43(2)36-16-10-9-15-32(36)33-24-35-34-23-31(21-22-40(34)46-41(35)25-37(33)43)27-17-19-30(20-18-27)42-44-38(28-11-5-3-6-12-28)26-39(45-42)29-13-7-4-8-14-29/h3-26H,1-2H3
InChIKeyCLRANTSHFJVGDA-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.35
Rot. Bonds4

About 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine

2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 140907327) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
PubChem CID140907327
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)cc13
InChIInChI=1S/C43H30N2O/c1-43(2)36-16-10-9-15-32(36)33-24-35-34-23-31(21-22-40(34)46-41(35)25-37(33)43)27-17-19-30(20-18-27)42-44-38(28-11-5-3-6-12-28)26-39(45-42)29-13-7-4-8-14-29/h3-26H,1-2H3
InChIKeyCLRANTSHFJVGDA-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907263
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 140907280
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine (CID 140907327) is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)cc13.
What is the InChIKey of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is CLRANTSHFJVGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43(2)36-16-10-9-15-32(36)33-24-35-34-23-31(21-22-40(34)46-41(35)25-37(33)43)27-17-19-30(20-18-27)42-44-38(28-11-5-3-6-12-28)26-39(45-42)29-13-7-4-8-14-29/h3-26H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine?
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 590.73 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 140907327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).