2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine

C36H50N12 — CID 122393617

IUPAC2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccn5N(C)C)n4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C
InChIInChI=1S/C36H50N12/c1-37(2)43-25-13-15-27(43)29-17-19-31(45(29)39(5)6)33-21-23-35(47(33)41(9)10)36-24-22-34(48(36)42(11)12)32-20-18-30(46(32)40(7)8)28-16-14-26-44(28)38(3)4/h13-26H,1-12H3
InChIKeyQQUWKYLTDMBCGB-UHFFFAOYSA-N
MW650.88 g/mol
LogP4.02
Rot. Bonds11

About 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine

2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (PubChem CID 122393617) has the molecular formula C36H50N12 and a molecular weight of 650.88 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.

Molecular Properties

Compound Name2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
PubChem CID122393617
Molecular FormulaC36H50N12
Molecular Weight650.88 g/mol
Exact Mass650.43
IUPAC Name2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccn5N(C)C)n4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C
InChIInChI=1S/C36H50N12/c1-37(2)43-25-13-15-27(43)29-17-19-31(45(29)39(5)6)33-21-23-35(47(33)41(9)10)36-24-22-34(48(36)42(11)12)32-20-18-30(46(32)40(7)8)28-16-14-26-44(28)38(3)4/h13-26H,1-12H3
InChIKeyQQUWKYLTDMBCGB-UHFFFAOYSA-N
XLogP4.02
TPSA49.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.88
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine with MolForge

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Related Compounds

1-Methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
CID 155565853
5,10,15,20-Tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 53980392
2,2'-Bipyrrolyl-pyrromethene
CID 129829513
tris(manganese(2+));N-methyl-1-pyrrol-1-id-2-ylmethanimine;1-(5-methylpyrrol-1-id-2-yl)-N-propan-2-ylmethanimine;N-propan-2-yl-1-pyrrol-1-id-2-ylethanimine;N-propan-2-yl-1-[5-(trifluoromethyl)pyrrol-1-id-2-yl]methanimine;1-pyrrol-1-id-2-yl-N-(trifluoromethyl)methanimine;2,2,2-trifluoro-N-propan-2-yl-1-pyrrol-1-id-2-ylethanimine
CID 159230764
3,5-Dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole
CID 5256864
5,10,15,20-Tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin
CID 91428846
2,6-Bis(1-tetradecylpyrazol-3-yl)pyridine
CID 91452192
2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 101375652
2,6-Bis[di(pyrazol-1-yl)methyl]pyridine
CID 102479602
2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393614
2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393615
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393616

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The IUPAC name of 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (CID 122393617) is 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.
What is the SMILES notation for 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The canonical SMILES for 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is CN(C)n1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccn5N(C)C)n4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The InChIKey is QQUWKYLTDMBCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50N12/c1-37(2)43-25-13-15-27(43)29-17-19-31(45(29)39(5)6)33-21-23-35(47(33)41(9)10)36-24-22-34(48(36)42(11)12)32-20-18-30(46(32)40(7)8)28-16-14-26-44(28)38(3)4/h13-26H,1-12H3.
What are the key properties of 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine has a molecular weight of 650.88 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is sourced from PubChem (CID 122393617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).