9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene

C52H44O2P2 — CID 87412642

IUPAC9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene
SMILESCC1(C)C2=CC3c4c(cc(P(=O)(c5ccccc5)c5ccccc5)c5ccccc45)C(C)(C)C3C=C2c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H44O2P2/c1-51(2)45-31-39(55(53,35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-32-47-44(33-46(43)51)50-42-28-18-17-27-41(42)49(34-48(50)52(47,3)4)56(54,37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-34,44,47H,1-4H3
InChIKeyZXAIHHLATHNIRH-UHFFFAOYSA-N
MW762.87 g/mol
LogP10.42
Rot. Bonds6

About 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene

9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene (PubChem CID 87412642) has the molecular formula C52H44O2P2 and a molecular weight of 762.87 g/mol. Its IUPAC name is 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene.

Molecular Properties

Compound Name9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene
PubChem CID87412642
Molecular FormulaC52H44O2P2
Molecular Weight762.87 g/mol
Exact Mass762.28
IUPAC Name9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene
SMILESCC1(C)C2=CC3c4c(cc(P(=O)(c5ccccc5)c5ccccc5)c5ccccc45)C(C)(C)C3C=C2c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H44O2P2/c1-51(2)45-31-39(55(53,35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-32-47-44(33-46(43)51)50-42-28-18-17-27-41(42)49(34-48(50)52(47,3)4)56(54,37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-34,44,47H,1-4H3
InChIKeyZXAIHHLATHNIRH-UHFFFAOYSA-N
XLogP10.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.87
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene with MolForge

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Related Compounds

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
N,N-diphenyl-4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-8-yl]ethenyl]aniline
CID 88986855
3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
CID 58758028
8-dibenzofuran-4-yl-6,6,12,12-tetramethyl-N,N-bis[4-(4-phenylphenyl)phenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-2-amine
CID 122677109
3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene
CID 134596149
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
phenyl-[6,6,12,12-tetramethyl-2-[phenyl(9,9'-spirobi[fluorene]-2-yl)phosphoryl]-6a,7,8,10a-tetrahydroindeno[1,2-b]fluoren-8-yl]phosphane
CID 134405396
7-[(7-isocyano-9,9-dimethylfluoren-2-yl)-phenylphosphoryl]-9,9-dimethylfluorene-2-carbonitrile
CID 140877475
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
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
N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline
CID 145265129

Frequently Asked Questions

What is the IUPAC name of 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene?
The IUPAC name of 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene (CID 87412642) is 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene.
What is the SMILES notation for 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene?
The canonical SMILES for 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene is CC1(C)C2=CC3c4c(cc(P(=O)(c5ccccc5)c5ccccc5)c5ccccc45)C(C)(C)C3C=C2c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene?
The InChIKey is ZXAIHHLATHNIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44O2P2/c1-51(2)45-31-39(55(53,35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-32-47-44(33-46(43)51)50-42-28-18-17-27-41(42)49(34-48(50)52(47,3)4)56(54,37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-34,44,47H,1-4H3.
What are the key properties of 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene?
9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene has a molecular weight of 762.87 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-bis(diphenylphosphoryl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-2(11),3,5,7,9,14,16(21),17,19,23-decaene is sourced from PubChem (CID 87412642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).