2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]

C52H48O2P2 — CID 134550569

IUPAC2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]
SMILESC=C(/C=C\C=C/C)P(=O)(c1ccccc1)C1CCC2c3ccc(C)cc3C3(c4cc(C)ccc4-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc43)C2C1
InChIInChI=1S/C52H48O2P2/c1-5-6-10-17-38(4)55(53,39-18-11-7-12-19-39)42-26-30-46-44-28-24-36(2)32-48(44)52(50(46)34-42)49-33-37(3)25-29-45(49)47-31-27-43(35-51(47)52)56(54,40-20-13-8-14-21-40)41-22-15-9-16-23-41/h5-25,27-29,31-33,35,42,46,50H,4,26,30,34H2,1-3H3/b6-5-,17-10-
InChIKeyOFQHNLMOPRNVSP-YVBQQOMXSA-N
MW766.90 g/mol
LogP11.86
Rot. Bonds8

About 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]

2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] (PubChem CID 134550569) has the molecular formula C52H48O2P2 and a molecular weight of 766.90 g/mol. Its IUPAC name is 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene].

Molecular Properties

Compound Name2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]
PubChem CID134550569
Molecular FormulaC52H48O2P2
Molecular Weight766.90 g/mol
Exact Mass766.31
IUPAC Name2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]
SMILESC=C(/C=C\C=C/C)P(=O)(c1ccccc1)C1CCC2c3ccc(C)cc3C3(c4cc(C)ccc4-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc43)C2C1
InChIInChI=1S/C52H48O2P2/c1-5-6-10-17-38(4)55(53,39-18-11-7-12-19-39)42-26-30-46-44-28-24-36(2)32-48(44)52(50(46)34-42)49-33-37(3)25-29-45(49)47-31-27-43(35-51(47)52)56(54,40-20-13-8-14-21-40)41-22-15-9-16-23-41/h5-25,27-29,31-33,35,42,46,50H,4,26,30,34H2,1-3H3/b6-5-,17-10-
InChIKeyOFQHNLMOPRNVSP-YVBQQOMXSA-N
XLogP11.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] with MolForge

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Related Compounds

(R)-Xyl-SDP
CID 11309256
[(1S,5R,9R,16S,20S,24R,28R,35S)-22-phosphono-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl]phosphonic acid
CID 162660072
2,2',7,7'-Tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 16158722
1~9~,1~9~,2~9~,2~9~,3~9~,3~9~-Hexamethyl-1~9~H,2~9~H,3~9~H-1~2~,2~2~:2~7~,3~2~-terfluorene
CID 53423919
9,10-Bis(9,9-dioctylfluoren-2-yl)anthracene
CID 11105020
1,1'-((1R)-2,2',3,3'-Tetrahydro-1,1'-spirobi(1H-indene)-7,7'-diyl)bis(1,1-bis(4-methylphenyl)phosphine
CID 11228525
(S)-7,7'-bis(diphenylphosphino)-1,1'-spirobiindane((S)-SDP)
CID 12086160
Cyclophane
CID 15448870
7,10-Bis(4-tert-butylphenyl)fluoranthene
CID 86077778
(9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene
CID 101394622
2-[2-(9,9-Diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene
CID 101415282
(1S,3R)-6-methyl-1-(4-methylphenyl)-3-phenyl-3-(trifluoromethyl)-1,2-dihydroindene
CID 168304926

Frequently Asked Questions

What is the IUPAC name of 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
The IUPAC name of 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] (CID 134550569) is 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene].
What is the SMILES notation for 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
The canonical SMILES for 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] is C=C(/C=C\C=C/C)P(=O)(c1ccccc1)C1CCC2c3ccc(C)cc3C3(c4cc(C)ccc4-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc43)C2C1.
What is the InChIKey of 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
The InChIKey is OFQHNLMOPRNVSP-YVBQQOMXSA-N. The full InChI is InChI=1S/C52H48O2P2/c1-5-6-10-17-38(4)55(53,39-18-11-7-12-19-39)42-26-30-46-44-28-24-36(2)32-48(44)52(50(46)34-42)49-33-37(3)25-29-45(49)47-31-27-43(35-51(47)52)56(54,40-20-13-8-14-21-40)41-22-15-9-16-23-41/h5-25,27-29,31-33,35,42,46,50H,4,26,30,34H2,1-3H3/b6-5-,17-10-.
What are the key properties of 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]?
2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] has a molecular weight of 766.90 g/mol, XLogP of 11.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-diphenylphosphoryl-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-phenylphosphoryl]-7,7'-dimethylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene] is sourced from PubChem (CID 134550569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).