2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine

C65H94O6P2 — CID 100921762

IUPAC2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2op(O[C@H]3CCCC34CCC[C@H]4Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C65H94O6P2/c1-57(2,3)39-31-43-44-32-40(58(4,5)6)36-48(62(16,17)18)54(44)69-72(68-53(43)47(35-39)61(13,14)15)66-51-27-25-29-65(51)30-26-28-52(65)67-73-70-55-45(33-41(59(7,8)9)37-49(55)63(19,20)21)46-34-42(60(10,11)12)38-50(56(46)71-73)64(22,23)24/h31-38,51-52H,25-30H2,1-24H3/t51-,52+,65?
InChIKeyMECUEZWBQDYTFY-RIZYKKDUSA-N
MW1033.41 g/mol
LogP20.92
Rot. Bonds4

About 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 100921762) has the molecular formula C65H94O6P2 and a molecular weight of 1033.41 g/mol. Its IUPAC name is 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID100921762
Molecular FormulaC65H94O6P2
Molecular Weight1033.41 g/mol
Exact Mass1032.65
IUPAC Name2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2op(O[C@H]3CCCC34CCC[C@H]4Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C65H94O6P2/c1-57(2,3)39-31-43-44-32-40(58(4,5)6)36-48(62(16,17)18)54(44)69-72(68-53(43)47(35-39)61(13,14)15)66-51-27-25-29-65(51)30-26-28-52(65)67-73-70-55-45(33-41(59(7,8)9)37-49(55)63(19,20)21)46-34-42(60(10,11)12)38-50(56(46)71-73)64(22,23)24/h31-38,51-52H,25-30H2,1-24H3/t51-,52+,65?
InChIKeyMECUEZWBQDYTFY-RIZYKKDUSA-N
XLogP20.92
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.41
LogP ≤ 520.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 101435797
1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159117358
6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepine
CID 11977380
2,4,8,10-tetratert-butyl-6-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 67781945
ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159197768
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphosphinan-2-yloxy)phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 159770605
2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 11366860
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 21130889
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
CID 139721800
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[[(4R,5S)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 171748744
(1S)-N,N-dimethyl-1-phenyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 132605643
2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol
CID 139721792

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine (CID 100921762) is 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine is CC(C)(C)c1cc(C(C)(C)C)c2op(O[C@H]3CCCC34CCC[C@H]4Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is MECUEZWBQDYTFY-RIZYKKDUSA-N. The full InChI is InChI=1S/C65H94O6P2/c1-57(2,3)39-31-43-44-32-40(58(4,5)6)36-48(62(16,17)18)54(44)69-72(68-53(43)47(35-39)61(13,14)15)66-51-27-25-29-65(51)30-26-28-52(65)67-73-70-55-45(33-41(59(7,8)9)37-49(55)63(19,20)21)46-34-42(60(10,11)12)38-50(56(46)71-73)64(22,23)24/h31-38,51-52H,25-30H2,1-24H3/t51-,52+,65?.
What are the key properties of 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 1033.41 g/mol, XLogP of 20.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 100921762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).