7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]

C56H39OP — CID 129311396

IUPAC7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
SMILESO=P(c1ccccc1)(c1ccc2c(c1)C1(C3=C2CCC=C3)c2ccccc2-c2ccccc21)c1ccc2c(c1)C1(C3=C(CCC=C3)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C56H39OP/c57-58(36-16-2-1-3-17-36,37-30-32-45-43-22-8-14-28-51(43)55(53(45)34-37)47-24-10-4-18-39(47)40-19-5-11-25-48(40)55)38-31-33-46-44-23-9-15-29-52(44)56(54(46)35-38)49-26-12-6-20-41(49)42-21-7-13-27-50(42)56/h1-6,9-20,23-35H,7-8,21-22H2
InChIKeySBDSOGGPXIFKET-UHFFFAOYSA-N
MW758.90 g/mol
LogP12.19
Rot. Bonds3

About 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]

7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene] (PubChem CID 129311396) has the molecular formula C56H39OP and a molecular weight of 758.90 g/mol. Its IUPAC name is 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene].

Molecular Properties

Compound Name7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
PubChem CID129311396
Molecular FormulaC56H39OP
Molecular Weight758.90 g/mol
Exact Mass758.27
IUPAC Name7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
SMILESO=P(c1ccccc1)(c1ccc2c(c1)C1(C3=C2CCC=C3)c2ccccc2-c2ccccc21)c1ccc2c(c1)C1(C3=C(CCC=C3)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C56H39OP/c57-58(36-16-2-1-3-17-36,37-30-32-45-43-22-8-14-28-51(43)55(53(45)34-37)47-24-10-4-18-39(47)40-19-5-11-25-48(40)55)38-31-33-46-44-23-9-15-29-52(44)56(54(46)35-38)49-26-12-6-20-41(49)42-21-7-13-27-50(42)56/h1-6,9-20,23-35H,7-8,21-22H2
InChIKeySBDSOGGPXIFKET-UHFFFAOYSA-N
XLogP12.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.90
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
2'-diphenylphosphoryl-7'-[(4-methylcyclohexa-2,4-dien-1-yl)-phenylphosphoryl]-9,9'-spirobi[fluorene]
CID 134550611
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]
CID 163841303
N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
CID 166990759

Frequently Asked Questions

What is the IUPAC name of 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]?
The IUPAC name of 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene] (CID 129311396) is 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene].
What is the SMILES notation for 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]?
The canonical SMILES for 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene] is O=P(c1ccccc1)(c1ccc2c(c1)C1(C3=C2CCC=C3)c2ccccc2-c2ccccc21)c1ccc2c(c1)C1(C3=C(CCC=C3)c3ccccc31)c1ccccc1-2.
What is the InChIKey of 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]?
The InChIKey is SBDSOGGPXIFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39OP/c57-58(36-16-2-1-3-17-36,37-30-32-45-43-22-8-14-28-51(43)55(53(45)34-37)47-24-10-4-18-39(47)40-19-5-11-25-48(40)55)38-31-33-46-44-23-9-15-29-52(44)56(54(46)35-38)49-26-12-6-20-41(49)42-21-7-13-27-50(42)56/h1-6,9-20,23-35H,7-8,21-22H2.
What are the key properties of 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]?
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene] has a molecular weight of 758.90 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene] is sourced from PubChem (CID 129311396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).