(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane

C44H64P2 — CID 15803042

IUPAC(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/c2ccc(/C=P/c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C44H64P2/c1-39(2,3)31-23-33(41(7,8)9)37(34(24-31)42(10,11)12)45-27-29-19-21-30(22-20-29)28-46-38-35(43(13,14)15)25-32(40(4,5)6)26-36(38)44(16,17)18/h19-28H,1-18H3
InChIKeyGLOGISPINWILJI-UHFFFAOYSA-N
MW654.94 g/mol
LogP12.32
Rot. Bonds4

About (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane

(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane (PubChem CID 15803042) has the molecular formula C44H64P2 and a molecular weight of 654.94 g/mol. Its IUPAC name is (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane.

Molecular Properties

Compound Name(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
PubChem CID15803042
Molecular FormulaC44H64P2
Molecular Weight654.94 g/mol
Exact Mass654.45
IUPAC Name(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/c2ccc(/C=P/c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C44H64P2/c1-39(2,3)31-23-33(41(7,8)9)37(34(24-31)42(10,11)12)45-27-29-19-21-30(22-20-29)28-46-38-35(43(13,14)15)25-32(40(4,5)6)26-36(38)44(16,17)18/h19-28H,1-18H3
InChIKeyGLOGISPINWILJI-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.94
LogP ≤ 512.32
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

(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 101336362
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918
[2,3-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 11389161
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 15821264
1,2,3,5-tetratert-butylbenzene
CID 18679123
benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
CID 134984450
1,3,5,8-tetratert-butylnaphthalene
CID 71356905
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
CID 134886122

Frequently Asked Questions

What is the IUPAC name of (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane?
The IUPAC name of (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane (CID 15803042) is (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane.
What is the SMILES notation for (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane?
The canonical SMILES for (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=C/c2ccc(/C=P/c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)cc2)c(C(C)(C)C)c1.
What is the InChIKey of (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane?
The InChIKey is GLOGISPINWILJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H64P2/c1-39(2,3)31-23-33(41(7,8)9)37(34(24-31)42(10,11)12)45-27-29-19-21-30(22-20-29)28-46-38-35(43(13,14)15)25-32(40(4,5)6)26-36(38)44(16,17)18/h19-28H,1-18H3.
What are the key properties of (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane?
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane has a molecular weight of 654.94 g/mol, XLogP of 12.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane is sourced from PubChem (CID 15803042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).