(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol

C34H28N2O2 — CID 11092260

IUPAC(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCOc1ccc2cc(C(O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1
InChIInChI=1S/C34H28N2O2/c1-38-31-20-19-25-21-27(18-17-26(25)22-31)33(37)32-23-36(24-35-32)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24,33,37H,1H3
InChIKeyZVMIVVOXKUTOJZ-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.97
Rot. Bonds7

About (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol

(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol (PubChem CID 11092260) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
PubChem CID11092260
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCOc1ccc2cc(C(O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1
InChIInChI=1S/C34H28N2O2/c1-38-31-20-19-25-21-27(18-17-26(25)22-31)33(37)32-23-36(24-35-32)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24,33,37H,1H3
InChIKeyZVMIVVOXKUTOJZ-UHFFFAOYSA-N
XLogP6.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 22018393
(4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol
CID 171852762
4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol
CID 22924003
(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol
CID 58951941
(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
CID 114822321
ethyl 2-hydroxy-3-[6-(methylcarbamoyl)naphthalen-2-yl]-3-(1-tritylimidazol-4-yl)propanoate
CID 141215606
N-ethoxy-6-[3-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxamide
CID 87632573
1-[6-(2-methoxyethoxy)naphthalen-2-yl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 54088169
(1-ethylimidazol-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 63976278
1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 18668662
(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
CID 22664967
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid
CID 10951350

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol (CID 11092260) is (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol is COc1ccc2cc(C(O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The InChIKey is ZVMIVVOXKUTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O2/c1-38-31-20-19-25-21-27(18-17-26(25)22-31)33(37)32-23-36(24-35-32)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24,33,37H,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol has a molecular weight of 496.61 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 11092260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).