5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride

C30H29ClN2O — CID 44531035

IUPAC5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride
SMILESCC(C)c1ccc(Cn2cc(-c3ccncc3)c3cc(OCc4ccccc4)ccc32)cc1.Cl
InChIInChI=1S/C30H28N2O.ClH/c1-22(2)25-10-8-23(9-11-25)19-32-20-29(26-14-16-31-17-15-26)28-18-27(12-13-30(28)32)33-21-24-6-4-3-5-7-24;/h3-18,20,22H,19,21H2,1-2H3;1H
InChIKeyUKOFXHQHVWAXHV-UHFFFAOYSA-N
MW469.03 g/mol
LogP7.88
Rot. Bonds7

About 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride

5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride (PubChem CID 44531035) has the molecular formula C30H29ClN2O and a molecular weight of 469.03 g/mol. Its IUPAC name is 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride.

Molecular Properties

Compound Name5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride
PubChem CID44531035
Molecular FormulaC30H29ClN2O
Molecular Weight469.03 g/mol
Exact Mass468.20
IUPAC Name5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride
SMILESCC(C)c1ccc(Cn2cc(-c3ccncc3)c3cc(OCc4ccccc4)ccc32)cc1.Cl
InChIInChI=1S/C30H28N2O.ClH/c1-22(2)25-10-8-23(9-11-25)19-32-20-29(26-14-16-31-17-15-26)28-18-27(12-13-30(28)32)33-21-24-6-4-3-5-7-24;/h3-18,20,22H,19,21H2,1-2H3;1H
InChIKeyUKOFXHQHVWAXHV-UHFFFAOYSA-N
XLogP7.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.03
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride?
The IUPAC name of 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride (CID 44531035) is 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride.
What is the SMILES notation for 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride?
The canonical SMILES for 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride is CC(C)c1ccc(Cn2cc(-c3ccncc3)c3cc(OCc4ccccc4)ccc32)cc1.Cl.
What is the InChIKey of 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride?
The InChIKey is UKOFXHQHVWAXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O.ClH/c1-22(2)25-10-8-23(9-11-25)19-32-20-29(26-14-16-31-17-15-26)28-18-27(12-13-30(28)32)33-21-24-6-4-3-5-7-24;/h3-18,20,22H,19,21H2,1-2H3;1H.
What are the key properties of 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride?
5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride has a molecular weight of 469.03 g/mol, XLogP of 7.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride is sourced from PubChem (CID 44531035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).