[2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite

C68H68O8P2S — CID 58640395

IUPAC[2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite
SMILESCC(C)(C)CC(C)(C)c1ccc(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(S(=O)(=O)c2cc(C(C)(C)CC(C)(C)C)ccc2OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1
InChIInChI=1S/C68H68O8P2S/c1-65(2,3)45-67(7,8)51-39-41-61(75-77(71-57-35-19-27-47-23-11-15-31-53(47)57)72-58-36-20-28-48-24-12-16-32-54(48)58)63(43-51)79(69,70)64-44-52(68(9,10)46-66(4,5)6)40-42-62(64)76-78(73-59-37-21-29-49-25-13-17-33-55(49)59)74-60-38-22-30-50-26-14-18-34-56(50)60/h11-44H,45-46H2,1-10H3
InChIKeyFKNNYIWLVDPJOM-UHFFFAOYSA-N
MW1107.30 g/mol
LogP20.09
Rot. Bonds18

About [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite

[2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite (PubChem CID 58640395) has the molecular formula C68H68O8P2S and a molecular weight of 1107.30 g/mol. Its IUPAC name is [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite.

Molecular Properties

Compound Name[2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite
PubChem CID58640395
Molecular FormulaC68H68O8P2S
Molecular Weight1107.30 g/mol
Exact Mass1106.41
IUPAC Name[2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite
SMILESCC(C)(C)CC(C)(C)c1ccc(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(S(=O)(=O)c2cc(C(C)(C)CC(C)(C)C)ccc2OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1
InChIInChI=1S/C68H68O8P2S/c1-65(2,3)45-67(7,8)51-39-41-61(75-77(71-57-35-19-27-47-23-11-15-31-53(47)57)72-58-36-20-28-48-24-12-16-32-54(48)58)63(43-51)79(69,70)64-44-52(68(9,10)46-66(4,5)6)40-42-62(64)76-78(73-59-37-21-29-49-25-13-17-33-55(49)59)74-60-38-22-30-50-26-14-18-34-56(50)60/h11-44H,45-46H2,1-10H3
InChIKeyFKNNYIWLVDPJOM-UHFFFAOYSA-N
XLogP20.09
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.30
LogP ≤ 520.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite?
The IUPAC name of [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite (CID 58640395) is [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite.
What is the SMILES notation for [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite?
The canonical SMILES for [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite is CC(C)(C)CC(C)(C)c1ccc(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(S(=O)(=O)c2cc(C(C)(C)CC(C)(C)C)ccc2OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1.
What is the InChIKey of [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite?
The InChIKey is FKNNYIWLVDPJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H68O8P2S/c1-65(2,3)45-67(7,8)51-39-41-61(75-77(71-57-35-19-27-47-23-11-15-31-53(47)57)72-58-36-20-28-48-24-12-16-32-54(48)58)63(43-51)79(69,70)64-44-52(68(9,10)46-66(4,5)6)40-42-62(64)76-78(73-59-37-21-29-49-25-13-17-33-55(49)59)74-60-38-22-30-50-26-14-18-34-56(50)60/h11-44H,45-46H2,1-10H3.
What are the key properties of [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite?
[2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite has a molecular weight of 1107.30 g/mol, XLogP of 20.09, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-dinaphthalen-1-yloxyphosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] dinaphthalen-1-yl phosphite is sourced from PubChem (CID 58640395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).