4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine

C43H30N2O — CID 154602706

IUPAC4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C43H30N2O/c1-43(2)35-23-21-31(25-34(35)40-36(43)24-22-33-32-15-9-10-16-39(32)46-41(33)40)27-17-19-29(20-18-27)38-26-37(28-11-5-3-6-12-28)44-42(45-38)30-13-7-4-8-14-30/h3-26H,1-2H3
InChIKeyZPTSMXJAGYVFIZ-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.35
Rot. Bonds4

About 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine

4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 154602706) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID154602706
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C43H30N2O/c1-43(2)35-23-21-31(25-34(35)40-36(43)24-22-33-32-15-9-10-16-39(32)46-41(33)40)27-17-19-29(20-18-27)38-26-37(28-11-5-3-6-12-28)44-42(45-38)30-13-7-4-8-14-30/h3-26H,1-2H3
InChIKeyZPTSMXJAGYVFIZ-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-[4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602556
2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118553010
4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyridine;2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159300913
4-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602683
2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine
CID 158703539
2-dibenzofuran-3-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602580
4-(7,7-dimethyl-[1]benzofuro[3,2-c]xanthen-10-yl)-2,6-diphenylpyrimidine
CID 126729223
4-(7,7-dimethylxantheno[5,6-b][1]benzofuran-9-yl)-2,6-diphenylpyrimidine
CID 126729058
2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602751
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491277
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
10-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 118553057

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine (CID 154602706) is 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine is CC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is ZPTSMXJAGYVFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43(2)35-23-21-31(25-34(35)40-36(43)24-22-33-32-15-9-10-16-39(32)46-41(33)40)27-17-19-29(20-18-27)38-26-37(28-11-5-3-6-12-28)44-42(45-38)30-13-7-4-8-14-30/h3-26H,1-2H3.
What are the key properties of 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine?
4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-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 4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 154602706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).