[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane

C42H70P2 — CID 15666236

IUPAC[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
SMILESCCC(C)(C)c1cc(C(C)(C)CC)c(/P=P/c2c(C(C)(C)CC)cc(C(C)(C)CC)cc2C(C)(C)CC)c(C(C)(C)CC)c1
InChIInChI=1S/C42H70P2/c1-19-37(7,8)29-25-31(39(11,12)21-3)35(32(26-29)40(13,14)22-4)43-44-36-33(41(15,16)23-5)27-30(38(9,10)20-2)28-34(36)42(17,18)24-6/h25-28H,19-24H2,1-18H3
InChIKeyGKRFPNUAFHDUBJ-UHFFFAOYSA-N
MW636.97 g/mol
LogP13.57
Rot. Bonds14

About [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane

[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane (PubChem CID 15666236) has the molecular formula C42H70P2 and a molecular weight of 636.97 g/mol. Its IUPAC name is [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane.

Molecular Properties

Compound Name[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
PubChem CID15666236
Molecular FormulaC42H70P2
Molecular Weight636.97 g/mol
Exact Mass636.50
IUPAC Name[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
SMILESCCC(C)(C)c1cc(C(C)(C)CC)c(/P=P/c2c(C(C)(C)CC)cc(C(C)(C)CC)cc2C(C)(C)CC)c(C(C)(C)CC)c1
InChIInChI=1S/C42H70P2/c1-19-37(7,8)29-25-31(39(11,12)21-3)35(32(26-29)40(13,14)22-4)43-44-36-33(41(15,16)23-5)27-30(38(9,10)20-2)28-34(36)42(17,18)24-6/h25-28H,19-24H2,1-18H3
InChIKeyGKRFPNUAFHDUBJ-UHFFFAOYSA-N
XLogP13.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.97
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512291
2,4-bis(2-methylbutan-2-yl)benzenesulfinate
CID 174420487
2,4-bis(2-methylbutan-2-yl)benzamide
CID 91508673
2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol
CID 21199802
[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
CID 19899887
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990
2,5-bis(2-methylbutan-2-yl)benzaldehyde
CID 19739505
1-butoxy-2,4-bis(2-methylbutan-2-yl)benzene;ethane
CID 145478769

Frequently Asked Questions

What is the IUPAC name of [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane?
The IUPAC name of [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane (CID 15666236) is [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane.
What is the SMILES notation for [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane?
The canonical SMILES for [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane is CCC(C)(C)c1cc(C(C)(C)CC)c(/P=P/c2c(C(C)(C)CC)cc(C(C)(C)CC)cc2C(C)(C)CC)c(C(C)(C)CC)c1.
What is the InChIKey of [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane?
The InChIKey is GKRFPNUAFHDUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H70P2/c1-19-37(7,8)29-25-31(39(11,12)21-3)35(32(26-29)40(13,14)22-4)43-44-36-33(41(15,16)23-5)27-30(38(9,10)20-2)28-34(36)42(17,18)24-6/h25-28H,19-24H2,1-18H3.
What are the key properties of [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane?
[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane has a molecular weight of 636.97 g/mol, XLogP of 13.57, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane is sourced from PubChem (CID 15666236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).