2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile

C26H18N2 — CID 118017440

IUPAC2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C26H18N2/c27-17-23(19-9-2-1-3-10-19)25-22-12-6-7-13-24(22)28-26(25)21-15-14-18-8-4-5-11-20(18)16-21/h1-16,23,28H
InChIKeyQUCBKSLQRTZLAO-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.64
Rot. Bonds3

About 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile

2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile (PubChem CID 118017440) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile
PubChem CID118017440
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C26H18N2/c27-17-23(19-9-2-1-3-10-19)25-22-12-6-7-13-24(22)28-26(25)21-15-14-18-8-4-5-11-20(18)16-21/h1-16,23,28H
InChIKeyQUCBKSLQRTZLAO-UHFFFAOYSA-N
XLogP6.64
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-2-yl-2-phenylacetonitrile
CID 44719900
N-methyl-2-(4-methylphenyl)-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide
CID 174356512
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
10-naphthalen-2-yl-7H-benzo[c]carbazole
CID 144640313
3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole
CID 170874148
2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
CID 118908788
2-[(6-chloro-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
CID 155537572
2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine
CID 159486441
3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
CID 102042854
4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one
CID 11278424
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile
CID 59596117
1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol
CID 155547914

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile?
The IUPAC name of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile (CID 118017440) is 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile?
The canonical SMILES for 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile is N#CC(c1ccccc1)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile?
The InChIKey is QUCBKSLQRTZLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c27-17-23(19-9-2-1-3-10-19)25-22-12-6-7-13-24(22)28-26(25)21-15-14-18-8-4-5-11-20(18)16-21/h1-16,23,28H.
What are the key properties of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile?
2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile has a molecular weight of 358.44 g/mol, XLogP of 6.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile is sourced from PubChem (CID 118017440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).