dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane

C42H68Cl4P2 — CID 101180501

IUPACdichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane
SMILESCC(C)(C)c1cc(P(Cl)Cl)c(C(C)(C)CCCCCCCCC(C)(C)c2c(P(Cl)Cl)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C42H68Cl4P2/c1-37(2,3)29-25-31(39(7,8)9)35(33(27-29)47(43)44)41(13,14)23-21-19-17-18-20-22-24-42(15,16)36-32(40(10,11)12)26-30(38(4,5)6)28-34(36)48(45)46/h25-28H,17-24H2,1-16H3
InChIKeyZXRDZOZUZXBLNI-UHFFFAOYSA-N
MW776.77 g/mol
LogP16.08
Rot. Bonds13

About dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane

dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane (PubChem CID 101180501) has the molecular formula C42H68Cl4P2 and a molecular weight of 776.77 g/mol. Its IUPAC name is dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namedichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane
PubChem CID101180501
Molecular FormulaC42H68Cl4P2
Molecular Weight776.77 g/mol
Exact Mass774.36
IUPAC Namedichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane
SMILESCC(C)(C)c1cc(P(Cl)Cl)c(C(C)(C)CCCCCCCCC(C)(C)c2c(P(Cl)Cl)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C42H68Cl4P2/c1-37(2,3)29-25-31(39(7,8)9)35(33(27-29)47(43)44)41(13,14)23-21-19-17-18-20-22-24-42(15,16)36-32(40(10,11)12)26-30(38(4,5)6)28-34(36)48(45)46/h25-28H,17-24H2,1-16H3
InChIKeyZXRDZOZUZXBLNI-UHFFFAOYSA-N
XLogP16.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.77
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[11-(2-bromo-3,5-ditert-butylphenyl)-2,11-dimethyldodecan-2-yl]-3,5-ditert-butylbenzene
CID 101246541
1,2,3,5-tetratert-butylbenzene
CID 18679123
CID 174137288
CID 174137288
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
[2,6-bis(2,4,6-tritert-butylphenyl)phenyl]-dichlorophosphane
CID 101225089
chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
CID 14494179
1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
CID 174153590
methyl 5-(3,5-ditert-butyl-2-hydroxyphenyl)-5-methylhexanoate
CID 19865079
chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane
CID 134879567
1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-2-yl]phenol
CID 139825010
tris[2,2-bis(2,4-ditert-butylphenyl)tetradecyl] phosphite
CID 88523927

Frequently Asked Questions

What is the IUPAC name of dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane?
The IUPAC name of dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane (CID 101180501) is dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane.
What is the SMILES notation for dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane?
The canonical SMILES for dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane is CC(C)(C)c1cc(P(Cl)Cl)c(C(C)(C)CCCCCCCCC(C)(C)c2c(P(Cl)Cl)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane?
The InChIKey is ZXRDZOZUZXBLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H68Cl4P2/c1-37(2,3)29-25-31(39(7,8)9)35(33(27-29)47(43)44)41(13,14)23-21-19-17-18-20-22-24-42(15,16)36-32(40(10,11)12)26-30(38(4,5)6)28-34(36)48(45)46/h25-28H,17-24H2,1-16H3.
What are the key properties of dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane?
dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane has a molecular weight of 776.77 g/mol, XLogP of 16.08, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3,5-ditert-butyl-2-[11-(2,4-ditert-butyl-6-dichlorophosphanylphenyl)-2,11-dimethyldodecan-2-yl]phenyl]phosphane is sourced from PubChem (CID 101180501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).