(7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane

C39H32P2 — CID 86243607

IUPAC(7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane
SMILESCC1(C)c2cc(P(c3ccccc3)c3ccccc3)ccc2-c2ccc(P(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C39H32P2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-28H,1-2H3
InChIKeyKBPAFZWLCNHYPH-UHFFFAOYSA-N
MW562.63 g/mol
LogP7.51
Rot. Bonds6

About (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane

(7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane (PubChem CID 86243607) has the molecular formula C39H32P2 and a molecular weight of 562.63 g/mol. Its IUPAC name is (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane
PubChem CID86243607
Molecular FormulaC39H32P2
Molecular Weight562.63 g/mol
Exact Mass562.20
IUPAC Name(7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane
SMILESCC1(C)c2cc(P(c3ccccc3)c3ccccc3)ccc2-c2ccc(P(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C39H32P2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-28H,1-2H3
InChIKeyKBPAFZWLCNHYPH-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.63
LogP ≤ 57.51
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

phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane
CID 87932191
[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane
CID 101402918
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
ethane;triphenylphosphane
CID 90942156
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
4-diphenylphosphanylbenzene-1,2-diamine
CID 170557408
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
(9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)
CID 158916826
ethene;platinum;triphenylphosphane
CID 11071312
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198

Frequently Asked Questions

What is the IUPAC name of (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane?
The IUPAC name of (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane (CID 86243607) is (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane.
What is the SMILES notation for (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane?
The canonical SMILES for (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane is CC1(C)c2cc(P(c3ccccc3)c3ccccc3)ccc2-c2ccc(P(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane?
The InChIKey is KBPAFZWLCNHYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32P2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-28H,1-2H3.
What are the key properties of (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane?
(7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane has a molecular weight of 562.63 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane is sourced from PubChem (CID 86243607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).