methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole

C24H39N5 — CID 159141644

IUPACmethane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
SMILESC.C.C.C.c1c[nH]c(-c2ccc[nH]2)c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C8H8N2.3C4H5N.4CH4/c1-3-7(9-5-1)8-4-2-6-10-8;3*1-2-4-5-3-1;;;;/h1-6,9-10H;3*1-5H;4*1H4
InChIKeyKIDVYGDQRLEODL-UHFFFAOYSA-N
MW397.61 g/mol
LogP7.60
Rot. Bonds1

About methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole

methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole (PubChem CID 159141644) has the molecular formula C24H39N5 and a molecular weight of 397.61 g/mol. Its IUPAC name is methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole.

Molecular Properties

Compound Namemethane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
PubChem CID159141644
Molecular FormulaC24H39N5
Molecular Weight397.61 g/mol
Exact Mass397.32
IUPAC Namemethane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
SMILESC.C.C.C.c1c[nH]c(-c2ccc[nH]2)c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C8H8N2.3C4H5N.4CH4/c1-3-7(9-5-1)8-4-2-6-10-8;3*1-2-4-5-3-1;;;;/h1-6,9-10H;3*1-5H;4*1H4
InChIKeyKIDVYGDQRLEODL-UHFFFAOYSA-N
XLogP7.60
TPSA78.95 Ų
H-Bond Donors5
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.61
LogP ≤ 57.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole?
The IUPAC name of methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole (CID 159141644) is methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole.
What is the SMILES notation for methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole?
The canonical SMILES for methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole is C.C.C.C.c1c[nH]c(-c2ccc[nH]2)c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.
What is the InChIKey of methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole?
The InChIKey is KIDVYGDQRLEODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.3C4H5N.4CH4/c1-3-7(9-5-1)8-4-2-6-10-8;3*1-2-4-5-3-1;;;;/h1-6,9-10H;3*1-5H;4*1H4.
What are the key properties of methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole?
methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole has a molecular weight of 397.61 g/mol, XLogP of 7.60, 1 rotatable bonds, 5 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole is sourced from PubChem (CID 159141644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).