4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate

C129H128Cl2N6O9 — CID 158574206

IUPAC4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
SMILESCCCCCCCCCOc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1.CCCCCCCCCOc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1.Clc1ccc(C(c2ccc(Cl)cc2)c2ccccn2)cc1.Nc1ncccc1C(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(C(c2ccccc2)c2ccc(O)cc2)cc1.c1ccc(C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C29H35NO3.C27H33NO2.C19H16O2.C18H13Cl2N.C18H16N2O2.C18H15N/c1-3-4-5-6-7-8-11-22-32-26-17-13-24(14-18-26)29(28-12-9-10-21-30-28)25-15-19-27(20-16-25)33-23(2)31;1-2-3-4-5-6-7-10-21-30-25-18-14-23(15-19-25)27(26-11-8-9-20-28-26)22-12-16-24(29)17-13-22;20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;19-15-8-4-13(5-9-15)18(17-3-1-2-12-21-17)14-6-10-16(20)11-7-14;19-18-16(2-1-11-20-18)17(12-3-7-14(21)8-4-12)13-5-9-15(22)10-6-13;1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h9-10,12-21,29H,3-8,11,22H2,1-2H3;8-9,11-20,27,29H,2-7,10,21H2,1H3;1-13,19-21H;1-12,18H;1-11,17,21-22H,(H2,19,20);1-14,18H
InChIKeyHSLOGEFVRLCUBT-UHFFFAOYSA-N
MW1977.38 g/mol
LogP31.78
Rot. Bonds37

About 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate

4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate (PubChem CID 158574206) has the molecular formula C129H128Cl2N6O9 and a molecular weight of 1977.38 g/mol. Its IUPAC name is 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate.

Molecular Properties

Compound Name4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
PubChem CID158574206
Molecular FormulaC129H128Cl2N6O9
Molecular Weight1977.38 g/mol
Exact Mass1974.91
IUPAC Name4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
SMILESCCCCCCCCCOc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1.CCCCCCCCCOc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1.Clc1ccc(C(c2ccc(Cl)cc2)c2ccccn2)cc1.Nc1ncccc1C(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(C(c2ccccc2)c2ccc(O)cc2)cc1.c1ccc(C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C29H35NO3.C27H33NO2.C19H16O2.C18H13Cl2N.C18H16N2O2.C18H15N/c1-3-4-5-6-7-8-11-22-32-26-17-13-24(14-18-26)29(28-12-9-10-21-30-28)25-15-19-27(20-16-25)33-23(2)31;1-2-3-4-5-6-7-10-21-30-25-18-14-23(15-19-25)27(26-11-8-9-20-28-26)22-12-16-24(29)17-13-22;20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;19-15-8-4-13(5-9-15)18(17-3-1-2-12-21-17)14-6-10-16(20)11-7-14;19-18-16(2-1-11-20-18)17(12-3-7-14(21)8-4-12)13-5-9-15(22)10-6-13;1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h9-10,12-21,29H,3-8,11,22H2,1-2H3;8-9,11-20,27,29H,2-7,10,21H2,1H3;1-13,19-21H;1-12,18H;1-11,17,21-22H,(H2,19,20);1-14,18H
InChIKeyHSLOGEFVRLCUBT-UHFFFAOYSA-N
XLogP31.78
TPSA236.38 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.38
LogP ≤ 531.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate with MolForge

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Related Compounds

[4-[[4-[Tert-butyl(dimethyl)silyl]oxyphenyl]-pyridin-2-ylmethyl]phenyl] acetate;4-[(4-hydroxyphenyl)-pyridin-3-ylmethyl]phenol;4-[(4-hydroxyphenyl)-pyridin-4-ylmethyl]phenol;[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate;4-[(4-pentan-2-yloxyphenyl)-pyridin-2-ylmethyl]phenol
CID 157954934
[1-[3-(4-Tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol
CID 158928910
2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol
CID 159097666
CID 160355807
CID 160355807
1-Chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine
CID 161823577

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate?
The IUPAC name of 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate (CID 158574206) is 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate.
What is the SMILES notation for 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate?
The canonical SMILES for 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate is CCCCCCCCCOc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1.CCCCCCCCCOc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1.Clc1ccc(C(c2ccc(Cl)cc2)c2ccccn2)cc1.Nc1ncccc1C(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(C(c2ccccc2)c2ccc(O)cc2)cc1.c1ccc(C(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate?
The InChIKey is HSLOGEFVRLCUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3.C27H33NO2.C19H16O2.C18H13Cl2N.C18H16N2O2.C18H15N/c1-3-4-5-6-7-8-11-22-32-26-17-13-24(14-18-26)29(28-12-9-10-21-30-28)25-15-19-27(20-16-25)33-23(2)31;1-2-3-4-5-6-7-10-21-30-25-18-14-23(15-19-25)27(26-11-8-9-20-28-26)22-12-16-24(29)17-13-22;20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;19-15-8-4-13(5-9-15)18(17-3-1-2-12-21-17)14-6-10-16(20)11-7-14;19-18-16(2-1-11-20-18)17(12-3-7-14(21)8-4-12)13-5-9-15(22)10-6-13;1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h9-10,12-21,29H,3-8,11,22H2,1-2H3;8-9,11-20,27,29H,2-7,10,21H2,1H3;1-13,19-21H;1-12,18H;1-11,17,21-22H,(H2,19,20);1-14,18H.
What are the key properties of 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate?
4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate has a molecular weight of 1977.38 g/mol, XLogP of 31.78, 37 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate is sourced from PubChem (CID 158574206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).