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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Related Compounds

N-[[3-[3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]-5-[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 73211825
N-[[3-[3,5-bis[(1H-pyrrol-2-ylmethylideneamino)methyl]phenyl]-5-[(1H-pyrrol-2-ylmethylideneamino)methyl]phenyl]methyl]-1-(1H-pyrrol-2-yl)methanimine
CID 150948104
(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 135476167
Porphyrinogen
CID 9548659
N-[[2,3,4,5,6-pentakis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 129901045
1-(1H-pyrrol-2-yl)-N-[[3,4,5-tris[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]methanamine
CID 156014071
N-[[13,15,28,30,31,33-hexaethyl-29-[(1H-pyrrol-2-ylmethylamino)methyl]-3,10,18,25,32,34-hexazapentacyclo[25.3.1.15,8.112,16.120,23]tetratriaconta-1(31),5,7,12(33),13,15,20,22,27,29-decaen-14-yl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 156019283
Bilane
CID 9548777
(6Z,11Z,15Z,20Z)-25,26,27,28,29-pentaazahexacyclo[20.2.1.1(2,5).1(7,10).1(12,15).1(17,20)]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene
CID 11966286
Calix[5]pyrrole
CID 25137952
Calix(6)pyrrole
CID 25137953
b-Bilene
CID 44263817

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).