2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole

C28H31N3S2 — CID 177484632

IUPAC2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole
SMILESCCc1c[nH]c(-c2ccc(-c3ccc(-c4ccc(-c5[nH]cc(CC)c5CC)s4)[nH]3)s2)c1CC
InChIInChI=1S/C28H31N3S2/c1-5-17-15-29-27(19(17)7-3)25-13-11-23(32-25)21-9-10-22(31-21)24-12-14-26(33-24)28-20(8-4)18(6-2)16-30-28/h9-16,29-31H,5-8H2,1-4H3
InChIKeyHPVATTIYJRSDIJ-UHFFFAOYSA-N
MW473.71 g/mol
LogP8.71
Rot. Bonds8

About 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole

2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole (PubChem CID 177484632) has the molecular formula C28H31N3S2 and a molecular weight of 473.71 g/mol. Its IUPAC name is 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole.

Molecular Properties

Compound Name2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole
PubChem CID177484632
Molecular FormulaC28H31N3S2
Molecular Weight473.71 g/mol
Exact Mass473.20
IUPAC Name2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole
SMILESCCc1c[nH]c(-c2ccc(-c3ccc(-c4ccc(-c5[nH]cc(CC)c5CC)s4)[nH]3)s2)c1CC
InChIInChI=1S/C28H31N3S2/c1-5-17-15-29-27(19(17)7-3)25-13-11-23(32-25)21-9-10-22(31-21)24-12-14-26(33-24)28-20(8-4)18(6-2)16-30-28/h9-16,29-31H,5-8H2,1-4H3
InChIKeyHPVATTIYJRSDIJ-UHFFFAOYSA-N
XLogP8.71
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.71
LogP ≤ 58.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole?
The IUPAC name of 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole (CID 177484632) is 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole.
What is the SMILES notation for 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole?
The canonical SMILES for 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole is CCc1c[nH]c(-c2ccc(-c3ccc(-c4ccc(-c5[nH]cc(CC)c5CC)s4)[nH]3)s2)c1CC.
What is the InChIKey of 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole?
The InChIKey is HPVATTIYJRSDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3S2/c1-5-17-15-29-27(19(17)7-3)25-13-11-23(32-25)21-9-10-22(31-21)24-12-14-26(33-24)28-20(8-4)18(6-2)16-30-28/h9-16,29-31H,5-8H2,1-4H3.
What are the key properties of 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole?
2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole has a molecular weight of 473.71 g/mol, XLogP of 8.71, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[5-(3,4-diethyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrol-2-yl]thiophen-2-yl]-3,4-diethyl-1H-pyrrole is sourced from PubChem (CID 177484632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).