ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

C35H40P2 — CID 71310349

IUPACditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESC[C@H](C1C=CC=C1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C35H40P2/c1-25(37(34(2,3)4)35(5,6)7)28-21-14-24-31(28)36(32-22-12-17-26-15-8-10-19-29(26)32)33-23-13-18-27-16-9-11-20-30(27)33/h8-25,28H,1-7H3/t25-,28?/m1/s1
InChIKeyYGQKRDFSZFAHNJ-RXVAYIKUSA-N
MW522.65 g/mol
LogP9.96
Rot. Bonds5

About ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (PubChem CID 71310349) has the molecular formula C35H40P2 and a molecular weight of 522.65 g/mol. Its IUPAC name is ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
PubChem CID71310349
Molecular FormulaC35H40P2
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Nameditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESC[C@H](C1C=CC=C1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C35H40P2/c1-25(37(34(2,3)4)35(5,6)7)28-21-14-24-31(28)36(32-22-12-17-26-15-8-10-19-29(26)32)33-23-13-18-27-16-9-11-20-30(27)33/h8-25,28H,1-7H3/t25-,28?/m1/s1
InChIKeyYGQKRDFSZFAHNJ-RXVAYIKUSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The IUPAC name of ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (CID 71310349) is ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The canonical SMILES for ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is C[C@H](C1C=CC=C1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The InChIKey is YGQKRDFSZFAHNJ-RXVAYIKUSA-N. The full InChI is InChI=1S/C35H40P2/c1-25(37(34(2,3)4)35(5,6)7)28-21-14-24-31(28)36(32-22-12-17-26-15-8-10-19-29(26)32)33-23-13-18-27-16-9-11-20-30(27)33/h8-25,28H,1-7H3/t25-,28?/m1/s1.
What are the key properties of ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane has a molecular weight of 522.65 g/mol, XLogP of 9.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 71310349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).