dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C33H49P — CID 71309965

IUPACdicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(P(C3CCCCC3)C3CCCCC3)c2)c(C(C)C)c1
InChIInChI=1S/C33H49P/c1-23(2)27-21-31(24(3)4)33(32(22-27)25(5)6)26-14-13-19-30(20-26)34(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h13-14,19-25,28-29H,7-12,15-18H2,1-6H3
InChIKeyWIOWHADKSXUKEZ-UHFFFAOYSA-N
MW476.73 g/mol
LogP10.50
Rot. Bonds7

About dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 71309965) has the molecular formula C33H49P and a molecular weight of 476.73 g/mol. Its IUPAC name is dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID71309965
Molecular FormulaC33H49P
Molecular Weight476.73 g/mol
Exact Mass476.36
IUPAC Namedicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(P(C3CCCCC3)C3CCCCC3)c2)c(C(C)C)c1
InChIInChI=1S/C33H49P/c1-23(2)27-21-31(24(3)4)33(32(22-27)25(5)6)26-14-13-19-30(20-26)34(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h13-14,19-25,28-29H,7-12,15-18H2,1-6H3
InChIKeyWIOWHADKSXUKEZ-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.73
LogP ≤ 510.50
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 dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 71309965) is dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is CC(C)c1cc(C(C)C)c(-c2cccc(P(C3CCCCC3)C3CCCCC3)c2)c(C(C)C)c1.
What is the InChIKey of dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is WIOWHADKSXUKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49P/c1-23(2)27-21-31(24(3)4)33(32(22-27)25(5)6)26-14-13-19-30(20-26)34(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h13-14,19-25,28-29H,7-12,15-18H2,1-6H3.
What are the key properties of dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 476.73 g/mol, XLogP of 10.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 71309965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).