1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

C76H70N4O2 — CID 22018363

IUPAC1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESC=Cc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1.CCc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1
InChIInChI=1S/C38H36N2O.C38H34N2O/c2*1-4-29-20-21-31-25-35(23-22-30(31)24-29)38(41,28(2)3)36-26-40(27-39-36)37(32-14-8-5-9-15-32,33-16-10-6-11-17-33)34-18-12-7-13-19-34/h5-28,41H,4H2,1-3H3;4-28,41H,1H2,2-3H3
InChIKeyWRQJQHYNUGJVMM-UHFFFAOYSA-N
MW1071.42 g/mol
LogP16.74
Rot. Bonds16

About 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (PubChem CID 22018363) has the molecular formula C76H70N4O2 and a molecular weight of 1071.42 g/mol. Its IUPAC name is 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
PubChem CID22018363
Molecular FormulaC76H70N4O2
Molecular Weight1071.42 g/mol
Exact Mass1070.55
IUPAC Name1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESC=Cc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1.CCc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1
InChIInChI=1S/C38H36N2O.C38H34N2O/c2*1-4-29-20-21-31-25-35(23-22-30(31)24-29)38(41,28(2)3)36-26-40(27-39-36)37(32-14-8-5-9-15-32,33-16-10-6-11-17-33)34-18-12-7-13-19-34/h5-28,41H,4H2,1-3H3;4-28,41H,1H2,2-3H3
InChIKeyWRQJQHYNUGJVMM-UHFFFAOYSA-N
XLogP16.74
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.42
LogP ≤ 516.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The IUPAC name of 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (CID 22018363) is 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is C=Cc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1.CCc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1.
What is the InChIKey of 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The InChIKey is WRQJQHYNUGJVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O.C38H34N2O/c2*1-4-29-20-21-31-25-35(23-22-30(31)24-29)38(41,28(2)3)36-26-40(27-39-36)37(32-14-8-5-9-15-32,33-16-10-6-11-17-33)34-18-12-7-13-19-34/h5-28,41H,4H2,1-3H3;4-28,41H,1H2,2-3H3.
What are the key properties of 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol has a molecular weight of 1071.42 g/mol, XLogP of 16.74, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 22018363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).