[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane

C30H39P — CID 101430775

IUPAC[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1P
InChIInChI=1S/C30H39P/c1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30(26)31)29-24(20(5)6)14-10-15-25(29)21(7)8/h9-21H,31H2,1-8H3
InChIKeyMRQDQCBYXMNLGB-UHFFFAOYSA-N
MW430.62 g/mol
LogP9.01
Rot. Bonds6

About [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane

[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 101430775) has the molecular formula C30H39P and a molecular weight of 430.62 g/mol. Its IUPAC name is [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID101430775
Molecular FormulaC30H39P
Molecular Weight430.62 g/mol
Exact Mass430.28
IUPAC Name[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1P
InChIInChI=1S/C30H39P/c1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30(26)31)29-24(20(5)6)14-10-15-25(29)21(7)8/h9-21H,31H2,1-8H3
InChIKeyMRQDQCBYXMNLGB-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 59.01
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 [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane (CID 101430775) is [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane is CC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1P.
What is the InChIKey of [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is MRQDQCBYXMNLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39P/c1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30(26)31)29-24(20(5)6)14-10-15-25(29)21(7)8/h9-21H,31H2,1-8H3.
What are the key properties of [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 430.62 g/mol, XLogP of 9.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 101430775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).