5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole

C27H21NO — CID 141077944

IUPAC5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole
SMILESc1ccc(-c2ccccc2COc2ccccc2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C27H21NO/c1-2-8-20(9-3-1)24-11-5-4-10-23(24)19-29-27-13-7-6-12-25(27)21-14-15-26-22(18-21)16-17-28-26/h1-18,28H,19H2
InChIKeyVYEOGOOBQMYSAP-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.08
Rot. Bonds5

About 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole

5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole (PubChem CID 141077944) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole.

Molecular Properties

Compound Name5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole
PubChem CID141077944
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole
SMILESc1ccc(-c2ccccc2COc2ccccc2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C27H21NO/c1-2-8-20(9-3-1)24-11-5-4-10-23(24)19-29-27-13-7-6-12-25(27)21-14-15-26-22(18-21)16-17-28-26/h1-18,28H,19H2
InChIKeyVYEOGOOBQMYSAP-UHFFFAOYSA-N
XLogP7.08
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole?
The IUPAC name of 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole (CID 141077944) is 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole.
What is the SMILES notation for 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole?
The canonical SMILES for 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole is c1ccc(-c2ccccc2COc2ccccc2-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole?
The InChIKey is VYEOGOOBQMYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-2-8-20(9-3-1)24-11-5-4-10-23(24)19-29-27-13-7-6-12-25(27)21-14-15-26-22(18-21)16-17-28-26/h1-18,28H,19H2.
What are the key properties of 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole?
5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole has a molecular weight of 375.47 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole is sourced from PubChem (CID 141077944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).