2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]

C57H40 — CID 58793008

IUPAC2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]
SMILESCc1cc(-c2ccc3c(c2)C2(Cc4cc5ccccc5cc4C2)c2ccccc2-3)cc(-c2ccc3c(c2)C2(Cc4cc5ccccc5cc4C2)c2ccccc2-3)c1
InChIInChI=1S/C57H40/c1-35-22-42(40-18-20-50-48-14-6-8-16-52(48)56(54(50)29-40)31-44-24-36-10-2-3-11-37(36)25-45(44)32-56)28-43(23-35)41-19-21-51-49-15-7-9-17-53(49)57(55(51)30-41)33-46-26-38-12-4-5-13-39(38)27-47(46)34-57/h2-30H,31-34H2,1H3
InChIKeyDBEXHVYTEGTMNX-UHFFFAOYSA-N
MW724.95 g/mol
LogP13.77
Rot. Bonds2

About 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]

2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene] (PubChem CID 58793008) has the molecular formula C57H40 and a molecular weight of 724.95 g/mol. Its IUPAC name is 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene].

Molecular Properties

Compound Name2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]
PubChem CID58793008
Molecular FormulaC57H40
Molecular Weight724.95 g/mol
Exact Mass724.31
IUPAC Name2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]
SMILESCc1cc(-c2ccc3c(c2)C2(Cc4cc5ccccc5cc4C2)c2ccccc2-3)cc(-c2ccc3c(c2)C2(Cc4cc5ccccc5cc4C2)c2ccccc2-3)c1
InChIInChI=1S/C57H40/c1-35-22-42(40-18-20-50-48-14-6-8-16-52(48)56(54(50)29-40)31-44-24-36-10-2-3-11-37(36)25-45(44)32-56)28-43(23-35)41-19-21-51-49-15-7-9-17-53(49)57(55(51)30-41)33-46-26-38-12-4-5-13-39(38)27-47(46)34-57/h2-30H,31-34H2,1H3
InChIKeyDBEXHVYTEGTMNX-UHFFFAOYSA-N
XLogP13.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene] with MolForge

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Related Compounds

5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
2'-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]spiro[cyclopentane-1,9'-fluorene]
CID 169055143
2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 58814378
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59282121
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59196344
CID 162265424
CID 162265424

Frequently Asked Questions

What is the IUPAC name of 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]?
The IUPAC name of 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene] (CID 58793008) is 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene].
What is the SMILES notation for 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]?
The canonical SMILES for 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene] is Cc1cc(-c2ccc3c(c2)C2(Cc4cc5ccccc5cc4C2)c2ccccc2-3)cc(-c2ccc3c(c2)C2(Cc4cc5ccccc5cc4C2)c2ccccc2-3)c1.
What is the InChIKey of 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]?
The InChIKey is DBEXHVYTEGTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40/c1-35-22-42(40-18-20-50-48-14-6-8-16-52(48)56(54(50)29-40)31-44-24-36-10-2-3-11-37(36)25-45(44)32-56)28-43(23-35)41-19-21-51-49-15-7-9-17-53(49)57(55(51)30-41)33-46-26-38-12-4-5-13-39(38)27-47(46)34-57/h2-30H,31-34H2,1H3.
What are the key properties of 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]?
2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene] has a molecular weight of 724.95 g/mol, XLogP of 13.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene] is sourced from PubChem (CID 58793008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).