4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C55H40N2O2 — CID 166901756

IUPAC4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4oc5c(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cccc5c4c2)cc1C31CCCCC1
InChIInChI=1S/C55H40N2O2/c1-54(2)43-20-9-7-16-35(43)40-31-46-41(30-44(40)54)36-24-22-34(29-45(36)55(46)26-11-4-12-27-55)33-23-25-48-42(28-33)37-18-13-19-39(51(37)58-48)50-52-49(38-17-8-10-21-47(38)59-52)56-53(57-50)32-14-5-3-6-15-32/h3,5-10,13-25,28-31H,4,11-12,26-27H2,1-2H3
InChIKeyFTUCBSAQHACOCI-UHFFFAOYSA-N
MW760.94 g/mol
LogP14.81
Rot. Bonds3

About 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 166901756) has the molecular formula C55H40N2O2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID166901756
Molecular FormulaC55H40N2O2
Molecular Weight760.94 g/mol
Exact Mass760.31
IUPAC Name4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4oc5c(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cccc5c4c2)cc1C31CCCCC1
InChIInChI=1S/C55H40N2O2/c1-54(2)43-20-9-7-16-35(43)40-31-46-41(30-44(40)54)36-24-22-34(29-45(36)55(46)26-11-4-12-27-55)33-23-25-48-42(28-33)37-18-13-19-39(51(37)58-48)50-52-49(38-17-8-10-21-47(38)59-52)56-53(57-50)32-14-5-3-6-15-32/h3,5-10,13-25,28-31H,4,11-12,26-27H2,1-2H3
InChIKeyFTUCBSAQHACOCI-UHFFFAOYSA-N
XLogP14.81
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

CID 166901834
CID 166901834
2-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 166902146
2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 166901522
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134399160
2-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 166902124
2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
CID 166902274
2-cyclohexa-1,5-dien-1-yl-4-[8-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)pyrimidine
CID 166902594
8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167047627
2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181895
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181892
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 160926464
4-dibenzofuran-3-yl-6-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]-2-phenylpyrimidine
CID 166901830

Frequently Asked Questions

What is the IUPAC name of 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 166901756) is 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4oc5c(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cccc5c4c2)cc1C31CCCCC1.
What is the InChIKey of 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is FTUCBSAQHACOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2O2/c1-54(2)43-20-9-7-16-35(43)40-31-46-41(30-44(40)54)36-24-22-34(29-45(36)55(46)26-11-4-12-27-55)33-23-25-48-42(28-33)37-18-13-19-39(51(37)58-48)50-52-49(38-17-8-10-21-47(38)59-52)56-53(57-50)32-14-5-3-6-15-32/h3,5-10,13-25,28-31H,4,11-12,26-27H2,1-2H3.
What are the key properties of 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 760.94 g/mol, XLogP of 14.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 166901756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).