2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole

C24H40N2 — CID 102186147

IUPAC2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
SMILESCC(C)Cc1c[nH]c(-c2[nH]cc(CC(C)C)c2CC(C)C)c1CC(C)C
InChIInChI=1S/C24H40N2/c1-15(2)9-19-13-25-23(21(19)11-17(5)6)24-22(12-18(7)8)20(14-26-24)10-16(3)4/h13-18,25-26H,9-12H2,1-8H3
InChIKeyDRXDRWLTUHXUDJ-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.80
Rot. Bonds9

About 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole

2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole (PubChem CID 102186147) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole.

Molecular Properties

Compound Name2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
PubChem CID102186147
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
SMILESCC(C)Cc1c[nH]c(-c2[nH]cc(CC(C)C)c2CC(C)C)c1CC(C)C
InChIInChI=1S/C24H40N2/c1-15(2)9-19-13-25-23(21(19)11-17(5)6)24-22(12-18(7)8)20(14-26-24)10-16(3)4/h13-18,25-26H,9-12H2,1-8H3
InChIKeyDRXDRWLTUHXUDJ-UHFFFAOYSA-N
XLogP6.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
The IUPAC name of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole (CID 102186147) is 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole.
What is the SMILES notation for 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
The canonical SMILES for 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole is CC(C)Cc1c[nH]c(-c2[nH]cc(CC(C)C)c2CC(C)C)c1CC(C)C.
What is the InChIKey of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
The InChIKey is DRXDRWLTUHXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-15(2)9-19-13-25-23(21(19)11-17(5)6)24-22(12-18(7)8)20(14-26-24)10-16(3)4/h13-18,25-26H,9-12H2,1-8H3.
What are the key properties of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole has a molecular weight of 356.60 g/mol, XLogP of 6.80, 9 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole is sourced from PubChem (CID 102186147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).