4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine

C29H31N3 — CID 70917805

IUPAC4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine
SMILESCCCC(N)(CCC)c1cc(-n2ccc3ccccc32)cc(-n2ccc3ccccc32)c1
InChIInChI=1S/C29H31N3/c1-3-15-29(30,16-4-2)24-19-25(31-17-13-22-9-5-7-11-27(22)31)21-26(20-24)32-18-14-23-10-6-8-12-28(23)32/h5-14,17-21H,3-4,15-16,30H2,1-2H3
InChIKeyWDFXNCHDRQHIEE-UHFFFAOYSA-N
MW421.59 g/mol
LogP7.33
Rot. Bonds7

About 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine

4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine (PubChem CID 70917805) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine.

Molecular Properties

Compound Name4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine
PubChem CID70917805
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC Name4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine
SMILESCCCC(N)(CCC)c1cc(-n2ccc3ccccc32)cc(-n2ccc3ccccc32)c1
InChIInChI=1S/C29H31N3/c1-3-15-29(30,16-4-2)24-19-25(31-17-13-22-9-5-7-11-27(22)31)21-26(20-24)32-18-14-23-10-6-8-12-28(23)32/h5-14,17-21H,3-4,15-16,30H2,1-2H3
InChIKeyWDFXNCHDRQHIEE-UHFFFAOYSA-N
XLogP7.33
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine?
The IUPAC name of 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine (CID 70917805) is 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine.
What is the SMILES notation for 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine?
The canonical SMILES for 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine is CCCC(N)(CCC)c1cc(-n2ccc3ccccc32)cc(-n2ccc3ccccc32)c1.
What is the InChIKey of 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine?
The InChIKey is WDFXNCHDRQHIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3/c1-3-15-29(30,16-4-2)24-19-25(31-17-13-22-9-5-7-11-27(22)31)21-26(20-24)32-18-14-23-10-6-8-12-28(23)32/h5-14,17-21H,3-4,15-16,30H2,1-2H3.
What are the key properties of 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine?
4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine has a molecular weight of 421.59 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine is sourced from PubChem (CID 70917805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).