2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile

C25H19N3 — CID 118908788

IUPAC2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
SMILESCc1ccc2c([C@@H](c3ccccc3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C25H19N3/c1-17-12-13-21-22(14-17)28-25(19-10-6-3-7-11-19)24(21)23(20(15-26)16-27)18-8-4-2-5-9-18/h2-14,20,23,28H,1H3/t23-/m0/s1
InChIKeyOHOITEOELCZCSO-QHCPKHFHSA-N
MW361.45 g/mol
LogP5.94
Rot. Bonds4

About 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile

2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile (PubChem CID 118908788) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile.

Molecular Properties

Compound Name2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
PubChem CID118908788
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
SMILESCc1ccc2c([C@@H](c3ccccc3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C25H19N3/c1-17-12-13-21-22(14-17)28-25(19-10-6-3-7-11-19)24(21)23(20(15-26)16-27)18-8-4-2-5-9-18/h2-14,20,23,28H,1H3/t23-/m0/s1
InChIKeyOHOITEOELCZCSO-QHCPKHFHSA-N
XLogP5.94
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile?
The IUPAC name of 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile (CID 118908788) is 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile.
What is the SMILES notation for 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile?
The canonical SMILES for 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile is Cc1ccc2c([C@@H](c3ccccc3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile?
The InChIKey is OHOITEOELCZCSO-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H19N3/c1-17-12-13-21-22(14-17)28-25(19-10-6-3-7-11-19)24(21)23(20(15-26)16-27)18-8-4-2-5-9-18/h2-14,20,23,28H,1H3/t23-/m0/s1.
What are the key properties of 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile?
2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile has a molecular weight of 361.45 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile is sourced from PubChem (CID 118908788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).