phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane

C56H35P — CID 87932191

IUPACphenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane
SMILESc1ccc(P(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C56H35P/c1-2-16-36(17-3-1)57(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/h1-35H
InChIKeyDVPFYYULSXYOBA-UHFFFAOYSA-N
MW738.87 g/mol
LogP12.13
Rot. Bonds3

About phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane

phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane (PubChem CID 87932191) has the molecular formula C56H35P and a molecular weight of 738.87 g/mol. Its IUPAC name is phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane.

Molecular Properties

Compound Namephenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane
PubChem CID87932191
Molecular FormulaC56H35P
Molecular Weight738.87 g/mol
Exact Mass738.25
IUPAC Namephenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane
SMILESc1ccc(P(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C56H35P/c1-2-16-36(17-3-1)57(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/h1-35H
InChIKeyDVPFYYULSXYOBA-UHFFFAOYSA-N
XLogP12.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.87
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane
CID 101402918
[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane
CID 58142196
2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane
CID 159087588
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
CID 147413538
CID 147413538
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
1,4-bis(9,9'-spirobi[fluorene]-2-yl)but-2-ene-1,4-dione
CID 76648229
tetrakis(9,9'-spirobi[fluorene]-2-yl)silane
CID 21032480
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185

Frequently Asked Questions

What is the IUPAC name of phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane?
The IUPAC name of phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane (CID 87932191) is phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane.
What is the SMILES notation for phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane?
The canonical SMILES for phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane is c1ccc(P(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane?
The InChIKey is DVPFYYULSXYOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35P/c1-2-16-36(17-3-1)57(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/h1-35H.
What are the key properties of phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane?
phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane has a molecular weight of 738.87 g/mol, XLogP of 12.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane is sourced from PubChem (CID 87932191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).