3-[bis(1H-indol-3-yl)methyl]phenol

C23H18N2O — CID 46237894

IUPAC3-[bis(1H-indol-3-yl)methyl]phenol
SMILESOc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H18N2O/c26-16-7-5-6-15(12-16)23(19-13-24-21-10-3-1-8-17(19)21)20-14-25-22-11-4-2-9-18(20)22/h1-14,23-26H
InChIKeyRJYDOBLREYWVCO-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.53
Rot. Bonds3

About 3-[bis(1H-indol-3-yl)methyl]phenol

3-[bis(1H-indol-3-yl)methyl]phenol (PubChem CID 46237894) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[bis(1H-indol-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[bis(1H-indol-3-yl)methyl]phenol
PubChem CID46237894
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name3-[bis(1H-indol-3-yl)methyl]phenol
SMILESOc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H18N2O/c26-16-7-5-6-15(12-16)23(19-13-24-21-10-3-1-8-17(19)21)20-14-25-22-11-4-2-9-18(20)22/h1-14,23-26H
InChIKeyRJYDOBLREYWVCO-UHFFFAOYSA-N
XLogP5.53
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(1H-indol-3-yl)methyl]phenol?
The IUPAC name of 3-[bis(1H-indol-3-yl)methyl]phenol (CID 46237894) is 3-[bis(1H-indol-3-yl)methyl]phenol.
What is the SMILES notation for 3-[bis(1H-indol-3-yl)methyl]phenol?
The canonical SMILES for 3-[bis(1H-indol-3-yl)methyl]phenol is Oc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[bis(1H-indol-3-yl)methyl]phenol?
The InChIKey is RJYDOBLREYWVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c26-16-7-5-6-15(12-16)23(19-13-24-21-10-3-1-8-17(19)21)20-14-25-22-11-4-2-9-18(20)22/h1-14,23-26H.
What are the key properties of 3-[bis(1H-indol-3-yl)methyl]phenol?
3-[bis(1H-indol-3-yl)methyl]phenol has a molecular weight of 338.41 g/mol, XLogP of 5.53, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(1H-indol-3-yl)methyl]phenol is sourced from PubChem (CID 46237894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).