[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane

C46H53N2P — CID 175121682

IUPAC[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H53N2P/c1-33(2)40-26-18-27-41(34(3)4)45(40)47-30-31-48(46-42(35(5)6)28-19-29-43(46)36(7)8)44(47)32-49(37-20-12-9-13-21-37,38-22-14-10-15-23-38)39-24-16-11-17-25-39/h9-36,44H,1-8H3
InChIKeyRROBCHPPFOBQPO-UHFFFAOYSA-N
MW664.92 g/mol
LogP11.10
Rot. Bonds10

About [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane

[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane (PubChem CID 175121682) has the molecular formula C46H53N2P and a molecular weight of 664.92 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane
PubChem CID175121682
Molecular FormulaC46H53N2P
Molecular Weight664.92 g/mol
Exact Mass664.39
IUPAC Name[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H53N2P/c1-33(2)40-26-18-27-41(34(3)4)45(40)47-30-31-48(46-42(35(5)6)28-19-29-43(46)36(7)8)44(47)32-49(37-20-12-9-13-21-37,38-22-14-10-15-23-38)39-24-16-11-17-25-39/h9-36,44H,1-8H3
InChIKeyRROBCHPPFOBQPO-UHFFFAOYSA-N
XLogP11.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.92
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
CID 148740840
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanylidene]phosphane
CID 132942700
CID 177428700
CID 177428700
1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
CID 44633938
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
bis[[2,6-di(propan-2-yl)anilino]-diphenyl-λ5-phosphanylidene]azanium
CID 139185972
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole
CID 126754662
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
CID 177387152
CID 177387152
[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl-diphenylphosphaniumyl]boranuide
CID 139168157
CID 101393152
CID 101393152

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane?
The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane (CID 175121682) is [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane.
What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane?
The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane?
The InChIKey is RROBCHPPFOBQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H53N2P/c1-33(2)40-26-18-27-41(34(3)4)45(40)47-30-31-48(46-42(35(5)6)28-19-29-43(46)36(7)8)44(47)32-49(37-20-12-9-13-21-37,38-22-14-10-15-23-38)39-24-16-11-17-25-39/h9-36,44H,1-8H3.
What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane?
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane has a molecular weight of 664.92 g/mol, XLogP of 11.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane is sourced from PubChem (CID 175121682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).