3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene

C39H32O2P2 — CID 58758028

IUPAC3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2-c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C39H32O2P2/c1-39(2)37-25-23-33(42(40,29-15-7-3-8-16-29)30-17-9-4-10-18-30)27-35(37)36-28-34(24-26-38(36)39)43(41,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-28H,1-2H3
InChIKeyYXUMQZHPPZHXHP-UHFFFAOYSA-N
MW594.63 g/mol
LogP7.27
Rot. Bonds6

About 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene

3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene (PubChem CID 58758028) has the molecular formula C39H32O2P2 and a molecular weight of 594.63 g/mol. Its IUPAC name is 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
PubChem CID58758028
Molecular FormulaC39H32O2P2
Molecular Weight594.63 g/mol
Exact Mass594.19
IUPAC Name3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2-c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C39H32O2P2/c1-39(2)37-25-23-33(42(40,29-15-7-3-8-16-29)30-17-9-4-10-18-30)27-35(37)36-28-34(24-26-38(36)39)43(41,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-28H,1-2H3
InChIKeyYXUMQZHPPZHXHP-UHFFFAOYSA-N
XLogP7.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.63
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene
CID 134596149
20-diphenylphosphoryl-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 138741697
8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 130264661
5-bis(9,9-dimethylfluoren-3-yl)phosphoryl-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742195
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
diphenylphosphorylbenzene;terbium
CID 86595283
7-[(7-isocyano-9,9-dimethylfluoren-2-yl)-phenylphosphoryl]-9,9-dimethylfluorene-2-carbonitrile
CID 140877475
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
20-diphenylphosphoryl-18,23,23-trimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 138742039
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
4-diphenylphosphoryl-1-iodo-2-methoxybenzene
CID 10884572

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene?
The IUPAC name of 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene (CID 58758028) is 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene.
What is the SMILES notation for 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene?
The canonical SMILES for 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene is CC1(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2-c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene?
The InChIKey is YXUMQZHPPZHXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O2P2/c1-39(2)37-25-23-33(42(40,29-15-7-3-8-16-29)30-17-9-4-10-18-30)27-35(37)36-28-34(24-26-38(36)39)43(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 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene?
3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene has a molecular weight of 594.63 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene is sourced from PubChem (CID 58758028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).