2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

C70H92O6P2 — CID 174294489

IUPAC2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESCCCCc1cc(CCCC)c(OP2O[C@H](c3ccccc3)[C@H](c3ccccc3)O2)c(-c2cc(CCCC)cc(CCCC)c2Op2oc3c(CCCC)cc(CCCC)cc3c3cc(CCCC)cc(CCCC)c3o2)c1
InChIInChI=1S/C70H92O6P2/c1-9-17-31-51-43-57(35-21-13-5)65-61(47-51)62-48-52(32-18-10-2)44-58(36-22-14-6)66(62)72-77(71-65)73-67-59(37-23-15-7)45-53(33-19-11-3)49-63(67)64-50-54(34-20-12-4)46-60(38-24-16-8)68(64)74-78-75-69(55-39-27-25-28-40-55)70(76-78)56-41-29-26-30-42-56/h25-30,39-50,69-70H,9-24,31-38H2,1-8H3/t69-,70+,78?
InChIKeyGWUKODJVKDPRTP-RLZCPUOASA-N
MW1091.45 g/mol
LogP22.67
Rot. Bonds31

About 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 174294489) has the molecular formula C70H92O6P2 and a molecular weight of 1091.45 g/mol. Its IUPAC name is 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
PubChem CID174294489
Molecular FormulaC70H92O6P2
Molecular Weight1091.45 g/mol
Exact Mass1090.64
IUPAC Name2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESCCCCc1cc(CCCC)c(OP2O[C@H](c3ccccc3)[C@H](c3ccccc3)O2)c(-c2cc(CCCC)cc(CCCC)c2Op2oc3c(CCCC)cc(CCCC)cc3c3cc(CCCC)cc(CCCC)c3o2)c1
InChIInChI=1S/C70H92O6P2/c1-9-17-31-51-43-57(35-21-13-5)65-61(47-51)62-48-52(32-18-10-2)44-58(36-22-14-6)66(62)72-77(71-65)73-67-59(37-23-15-7)45-53(33-19-11-3)49-63(67)64-50-54(34-20-12-4)46-60(38-24-16-8)68(64)74-78-75-69(55-39-27-25-28-40-55)70(76-78)56-41-29-26-30-42-56/h25-30,39-50,69-70H,9-24,31-38H2,1-8H3/t69-,70+,78?
InChIKeyGWUKODJVKDPRTP-RLZCPUOASA-N
XLogP22.67
TPSA63.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.45
LogP ≤ 522.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Launch Full Analysis

Related Compounds

8-butyl-4-iodo-2,10-dimethyl-6-[[(2R,5R)-2-methyl-5-phenylphospholan-1-yl]methoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 142601402
4,8-dibutyl-2,10-dimethoxy-6-[1-phenyl-2-(2-phenylphospholan-1-yl)ethoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 162740205
[2-[3-butyl-2-(4-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(3-methylphenyl) phosphite
CID 167185656
2-[2-[[3-butyl-5-methyl-2-[(4-oxo-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]methyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one
CID 142213191
2-[[2,4-dibutyl-6-(3,5-dibutylphenyl)phenoxy]methyl]oxirane
CID 22935305
2-[5-butyl-2-(2-carboxyphenyl)-3-ethylphenyl]benzoic acid
CID 151639157
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
6-[2-butyl-6-[(3-butyl-5-iodo-2-methoxyphenyl)methyl]-4-iodophenoxy]benzo[c][2,1]benzoxaphosphinine
CID 147748932
[3-butyl-1-[3-butyl-2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane
CID 70956112
methyl 2-(3,5-dipentyl-2-phenylmethoxyphenyl)acetate
CID 130263523
2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol
CID 87770730
2-octylazulene
CID 101406191

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (CID 174294489) is 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is CCCCc1cc(CCCC)c(OP2O[C@H](c3ccccc3)[C@H](c3ccccc3)O2)c(-c2cc(CCCC)cc(CCCC)c2Op2oc3c(CCCC)cc(CCCC)cc3c3cc(CCCC)cc(CCCC)c3o2)c1.
What is the InChIKey of 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is GWUKODJVKDPRTP-RLZCPUOASA-N. The full InChI is InChI=1S/C70H92O6P2/c1-9-17-31-51-43-57(35-21-13-5)65-61(47-51)62-48-52(32-18-10-2)44-58(36-22-14-6)66(62)72-77(71-65)73-67-59(37-23-15-7)45-53(33-19-11-3)49-63(67)64-50-54(34-20-12-4)46-60(38-24-16-8)68(64)74-78-75-69(55-39-27-25-28-40-55)70(76-78)56-41-29-26-30-42-56/h25-30,39-50,69-70H,9-24,31-38H2,1-8H3/t69-,70+,78?.
What are the key properties of 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 1091.45 g/mol, XLogP of 22.67, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetrabutyl-6-[2,4-dibutyl-6-[3,5-dibutyl-2-[[(4S,5R)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 174294489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).