2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]

C62H42 — CID 58814378

IUPAC2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3cccc4c(-c5cccc6c(-c7ccc8c(c7)C7(Cc9ccccc9C7)c7ccccc7-8)cccc56)cccc34)cc21
InChIInChI=1S/C62H42/c1-2-14-42-36-61(35-41(42)13-1)57-27-7-5-17-53(57)55-31-29-39(33-59(55)61)45-19-9-23-49-47(45)21-11-25-51(49)52-26-12-22-48-46(20-10-24-50(48)52)40-30-32-56-54-18-6-8-28-58(54)62(60(56)34-40)37-43-15-3-4-16-44(43)38-62/h1-34H,35-38H2
InChIKeyYVLJIVOVWZCTMF-UHFFFAOYSA-N
MW787.02 g/mol
LogP15.12
Rot. Bonds3

About 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]

2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene] (PubChem CID 58814378) has the molecular formula C62H42 and a molecular weight of 787.02 g/mol. Its IUPAC name is 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene].

Molecular Properties

Compound Name2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
PubChem CID58814378
Molecular FormulaC62H42
Molecular Weight787.02 g/mol
Exact Mass786.33
IUPAC Name2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3cccc4c(-c5cccc6c(-c7ccc8c(c7)C7(Cc9ccccc9C7)c7ccccc7-8)cccc56)cccc34)cc21
InChIInChI=1S/C62H42/c1-2-14-42-36-61(35-41(42)13-1)57-27-7-5-17-53(57)55-31-29-39(33-59(55)61)45-19-9-23-49-47(45)21-11-25-51(49)52-26-12-22-48-46(20-10-24-50(48)52)40-30-32-56-54-18-6-8-28-58(54)62(60(56)34-40)37-43-15-3-4-16-44(43)38-62/h1-34H,35-38H2
InChIKeyYVLJIVOVWZCTMF-UHFFFAOYSA-N
XLogP15.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene] with MolForge

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Related Compounds

2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59282121
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
CID 59219584
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2'-[7'-[4-(2,2-diphenylethenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]spiro[1,3-dihydroindene-2,9'-fluorene];2'-[6-[4-(12-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylchrysen-6-yl)phenyl]chrysen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene];2'-[5-[4-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)phenyl]naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 159597315
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
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58987327
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]fluoranthene;2'-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 157490912
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
N,9-diphenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 162779800
2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine
CID 58793065

Frequently Asked Questions

What is the IUPAC name of 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
The IUPAC name of 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) is 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene].
What is the SMILES notation for 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
The canonical SMILES for 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene] is c1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3cccc4c(-c5cccc6c(-c7ccc8c(c7)C7(Cc9ccccc9C7)c7ccccc7-8)cccc56)cccc34)cc21.
What is the InChIKey of 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
The InChIKey is YVLJIVOVWZCTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42/c1-2-14-42-36-61(35-41(42)13-1)57-27-7-5-17-53(57)55-31-29-39(33-59(55)61)45-19-9-23-49-47(45)21-11-25-51(49)52-26-12-22-48-46(20-10-24-50(48)52)40-30-32-56-54-18-6-8-28-58(54)62(60(56)34-40)37-43-15-3-4-16-44(43)38-62/h1-34H,35-38H2.
What are the key properties of 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene] has a molecular weight of 787.02 g/mol, XLogP of 15.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene] is sourced from PubChem (CID 58814378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).