8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C55H34N2O3 — CID 167047627

IUPAC8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc7c6oc6ccc(-c8ccc9c(c8)oc8ccccc89)cc67)c5c4c3)cc21
InChIInChI=1S/C55H34N2O3/c1-55(2)43-16-8-6-13-36(43)37-23-19-34(29-44(37)55)32-21-25-46-41(27-32)50-40(15-10-18-48(50)58-46)51-53-52(57-54(56-51)31-11-4-3-5-12-31)42-28-33(22-26-47(42)60-53)35-20-24-39-38-14-7-9-17-45(38)59-49(39)30-35/h3-30H,1-2H3
InChIKeyRESDUJACHLEWGW-UHFFFAOYSA-N
MW770.89 g/mol
LogP15.15
Rot. Bonds4

About 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 167047627) has the molecular formula C55H34N2O3 and a molecular weight of 770.89 g/mol. Its IUPAC name is 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID167047627
Molecular FormulaC55H34N2O3
Molecular Weight770.89 g/mol
Exact Mass770.26
IUPAC Name8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc7c6oc6ccc(-c8ccc9c(c8)oc8ccccc89)cc67)c5c4c3)cc21
InChIInChI=1S/C55H34N2O3/c1-55(2)43-16-8-6-13-36(43)37-23-19-34(29-44(37)55)32-21-25-46-41(27-32)50-40(15-10-18-48(50)58-46)51-53-52(57-54(56-51)31-11-4-3-5-12-31)42-28-33(22-26-47(42)60-53)35-20-24-39-38-14-7-9-17-45(38)59-49(39)30-35/h3-30H,1-2H3
InChIKeyRESDUJACHLEWGW-UHFFFAOYSA-N
XLogP15.15
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134399160
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170947083
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline;4-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 162102671
4-chloro-8-(9,9-dimethylfluoren-2-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134398969
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-3-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 159119029
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 166901522
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 167047627) is 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc7c6oc6ccc(-c8ccc9c(c8)oc8ccccc89)cc67)c5c4c3)cc21.
What is the InChIKey of 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RESDUJACHLEWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O3/c1-55(2)43-16-8-6-13-36(43)37-23-19-34(29-44(37)55)32-21-25-46-41(27-32)50-40(15-10-18-48(50)58-46)51-53-52(57-54(56-51)31-11-4-3-5-12-31)42-28-33(22-26-47(42)60-53)35-20-24-39-38-14-7-9-17-45(38)59-49(39)30-35/h3-30H,1-2H3.
What are the key properties of 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 770.89 g/mol, XLogP of 15.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 167047627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).