2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine

C37H26N2O — CID 154602693

IUPAC2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C37H26N2O/c1-37(2)29-21-25(17-18-26(29)27-19-20-33-34(35(27)37)28-15-9-10-16-32(28)40-33)36-38-30(23-11-5-3-6-12-23)22-31(39-36)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyJOAQAXRTORKLBT-UHFFFAOYSA-N
MW514.63 g/mol
LogP9.68
Rot. Bonds3

About 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine

2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine (PubChem CID 154602693) has the molecular formula C37H26N2O and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine
PubChem CID154602693
Molecular FormulaC37H26N2O
Molecular Weight514.63 g/mol
Exact Mass514.20
IUPAC Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C37H26N2O/c1-37(2)29-21-25(17-18-26(29)27-19-20-33-34(35(27)37)28-15-9-10-16-32(28)40-33)36-38-30(23-11-5-3-6-12-23)22-31(39-36)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyJOAQAXRTORKLBT-UHFFFAOYSA-N
XLogP9.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyridine;4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-2,6-diphenylpyridine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine;4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-2,6-diphenylpyrimidine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine;2-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyridine;4-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyridine;4-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 158960456
1-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6-phenyl-1,3,5-triazin-2-yl]isoquinoline
CID 134218132
2-[3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)phenyl]-4,6-diphenylpyridine
CID 154602531
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-N-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N-methylaniline
CID 145018245
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171583538
4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
CID 176917153
[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
CID 177088039
2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491326
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-4,6-diphenyl-1,3,5-triazine
CID 118472849
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine (CID 154602693) is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine is CC1(C)c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine?
The InChIKey is JOAQAXRTORKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O/c1-37(2)29-21-25(17-18-26(29)27-19-20-33-34(35(27)37)28-15-9-10-16-32(28)40-33)36-38-30(23-11-5-3-6-12-23)22-31(39-36)24-13-7-4-8-14-24/h3-22H,1-2H3.
What are the key properties of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine?
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine has a molecular weight of 514.63 g/mol, XLogP of 9.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 154602693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).