2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]

C60H40 — CID 59282121

IUPAC2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3cc4cc(-c5ccc6c(c5)C5(Cc7ccccc7C5)c5ccccc5-6)c5ccccc5c4c4ccccc34)cc21
InChIInChI=1S/C60H40/c1-2-14-40-34-59(33-39(40)13-1)54-23-11-9-19-46(54)48-27-25-37(31-56(48)59)52-29-43-30-53(45-18-6-8-22-51(45)58(43)50-21-7-5-17-44(50)52)38-26-28-49-47-20-10-12-24-55(47)60(57(49)32-38)35-41-15-3-4-16-42(41)36-60/h1-32H,33-36H2
InChIKeySVCHOMCTJIDYJO-UHFFFAOYSA-N
MW760.98 g/mol
LogP14.61
Rot. Bonds2

About 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]

2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene] (PubChem CID 59282121) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene].

Molecular Properties

Compound Name2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]
PubChem CID59282121
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3cc4cc(-c5ccc6c(c5)C5(Cc7ccccc7C5)c5ccccc5-6)c5ccccc5c4c4ccccc34)cc21
InChIInChI=1S/C60H40/c1-2-14-40-34-59(33-39(40)13-1)54-23-11-9-19-46(54)48-27-25-37(31-56(48)59)52-29-43-30-53(45-18-6-8-22-51(45)58(43)50-21-7-5-17-44(50)52)38-26-28-49-47-20-10-12-24-55(47)60(57(49)32-38)35-41-15-3-4-16-42(41)36-60/h1-32H,33-36H2
InChIKeySVCHOMCTJIDYJO-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene
CID 59282253
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
CID 59219584
5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
CID 158517485
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
4-[5-(9,9-dimethylfluoren-2-yl)benzo[c]phenanthren-8-yl]benzonitrile
CID 89027078
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59196344
6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene
CID 158482253
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58987327
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

Frequently Asked Questions

What is the IUPAC name of 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]?
The IUPAC name of 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene] (CID 59282121) is 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene].
What is the SMILES notation for 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]?
The canonical SMILES for 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene] is c1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3cc4cc(-c5ccc6c(c5)C5(Cc7ccccc7C5)c5ccccc5-6)c5ccccc5c4c4ccccc34)cc21.
What is the InChIKey of 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]?
The InChIKey is SVCHOMCTJIDYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-2-14-40-34-59(33-39(40)13-1)54-23-11-9-19-46(54)48-27-25-37(31-56(48)59)52-29-43-30-53(45-18-6-8-22-51(45)58(43)50-21-7-5-17-44(50)52)38-26-28-49-47-20-10-12-24-55(47)60(57(49)32-38)35-41-15-3-4-16-42(41)36-60/h1-32H,33-36H2.
What are the key properties of 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]?
2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene] has a molecular weight of 760.98 g/mol, XLogP of 14.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene] is sourced from PubChem (CID 59282121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).