1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine

C59H43NO — CID 123578961

IUPAC1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine
SMILESCC1C(c2ccccc2)=CC=C2C1C(C)(C)c1cc(-c3ccccc3)ccc1N2c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C59H43NO/c1-36-40(38-19-8-5-9-20-38)32-34-52-55(36)58(2,3)49-35-39(37-17-6-4-7-18-37)29-33-50(49)60(52)51-27-16-26-48-54(51)45-23-11-14-25-47(45)59(48)46-24-13-10-21-41(46)43-30-31-44-42-22-12-15-28-53(42)61-57(44)56(43)59/h4-36,55H,1-3H3
InChIKeyOPBRVOREOFYWNW-UHFFFAOYSA-N
MW782.00 g/mol
LogP15.26
Rot. Bonds3

About 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine

1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine (PubChem CID 123578961) has the molecular formula C59H43NO and a molecular weight of 782.00 g/mol. Its IUPAC name is 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine.

Molecular Properties

Compound Name1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine
PubChem CID123578961
Molecular FormulaC59H43NO
Molecular Weight782.00 g/mol
Exact Mass781.33
IUPAC Name1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine
SMILESCC1C(c2ccccc2)=CC=C2C1C(C)(C)c1cc(-c3ccccc3)ccc1N2c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C59H43NO/c1-36-40(38-19-8-5-9-20-38)32-34-52-55(36)58(2,3)49-35-39(37-17-6-4-7-18-37)29-33-50(49)60(52)51-27-16-26-48-54(51)45-23-11-14-25-47(45)59(48)46-24-13-10-21-41(46)43-30-31-44-42-22-12-15-28-53(42)61-57(44)56(43)59/h4-36,55H,1-3H3
InChIKeyOPBRVOREOFYWNW-UHFFFAOYSA-N
XLogP15.26
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine with MolForge

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Related Compounds

3,7-diphenyl-10-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenoxazine
CID 121444463
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465153
2-dibenzofuran-4-yl-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 70936203
2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167348962
4-dibenzofuran-4-yl-2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 167349016
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034505
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylpyrimidine
CID 122627082
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
10,10,21,21-tetramethyl-14-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 129258966
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995

Frequently Asked Questions

What is the IUPAC name of 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine?
The IUPAC name of 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine (CID 123578961) is 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine.
What is the SMILES notation for 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine?
The canonical SMILES for 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine is CC1C(c2ccccc2)=CC=C2C1C(C)(C)c1cc(-c3ccccc3)ccc1N2c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine?
The InChIKey is OPBRVOREOFYWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-36-40(38-19-8-5-9-20-38)32-34-52-55(36)58(2,3)49-35-39(37-17-6-4-7-18-37)29-33-50(49)60(52)51-27-16-26-48-54(51)45-23-11-14-25-47(45)59(48)46-24-13-10-21-41(46)43-30-31-44-42-22-12-15-28-53(42)61-57(44)56(43)59/h4-36,55H,1-3H3.
What are the key properties of 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine?
1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine has a molecular weight of 782.00 g/mol, XLogP of 15.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,9-trimethyl-2,7-diphenyl-10-spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-4-yl-1,9a-dihydroacridine is sourced from PubChem (CID 123578961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).