2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile

C30H29N3 — CID 177417798

IUPAC2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile
SMILESCCCn1cc(C(C#N)(c2ccccc2)c2cn(CCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C30H29N3/c1-3-18-32-20-26(24-14-8-10-16-28(24)32)30(22-31,23-12-6-5-7-13-23)27-21-33(19-4-2)29-17-11-9-15-25(27)29/h5-17,20-21H,3-4,18-19H2,1-2H3
InChIKeyXWDRNOMVTCYBHT-UHFFFAOYSA-N
MW431.58 g/mol
LogP7.27
Rot. Bonds7

About 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile

2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile (PubChem CID 177417798) has the molecular formula C30H29N3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile
PubChem CID177417798
Molecular FormulaC30H29N3
Molecular Weight431.58 g/mol
Exact Mass431.24
IUPAC Name2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile
SMILESCCCn1cc(C(C#N)(c2ccccc2)c2cn(CCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C30H29N3/c1-3-18-32-20-26(24-14-8-10-16-28(24)32)30(22-31,23-12-6-5-7-13-23)27-21-33(19-4-2)29-17-11-9-15-25(27)29/h5-17,20-21H,3-4,18-19H2,1-2H3
InChIKeyXWDRNOMVTCYBHT-UHFFFAOYSA-N
XLogP7.27
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-propylindole
CID 137421343
2,2-dimethyl-4-[3-(propylaminomethyl)indol-1-yl]butanenitrile
CID 66410175
3-[chloro-(1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-propylindole
CID 155772223
tris(1-ethylindol-3-yl)methanol
CID 142757847
2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid
CID 58731253
(Z)-3-(1-pentylindol-3-yl)-2,3-diphenylprop-2-enenitrile
CID 102432430
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
CID 116840601
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074110
2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine
CID 117118817
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile?
The IUPAC name of 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile (CID 177417798) is 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile.
What is the SMILES notation for 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile?
The canonical SMILES for 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile is CCCn1cc(C(C#N)(c2ccccc2)c2cn(CCC)c3ccccc23)c2ccccc21.
What is the InChIKey of 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile?
The InChIKey is XWDRNOMVTCYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3/c1-3-18-32-20-26(24-14-8-10-16-28(24)32)30(22-31,23-12-6-5-7-13-23)27-21-33(19-4-2)29-17-11-9-15-25(27)29/h5-17,20-21H,3-4,18-19H2,1-2H3.
What are the key properties of 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile?
2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile has a molecular weight of 431.58 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,2-bis(1-propylindol-3-yl)acetonitrile is sourced from PubChem (CID 177417798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).