tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)

C98H81N15O7S5 — CID 157054843

About tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)

tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide) (PubChem CID 157054843) has the molecular formula C98H81N15O7S5 and a molecular weight of 1741.16 g/mol. Its IUPAC name is tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide).

Molecular Properties

• Compound Name: tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)
• PubChem CID: 157054843
• Molecular Formula: C98H81N15O7S5
• Molecular Weight: 1741.16 g/mol
• Exact Mass: 1739.50
• IUPAC Name: tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)
• SMILES: Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccoc4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccoc4)nnc(C(N)=O)c3s2)cc1
• InChI: InChI=1S/3C20H17N3OS.2C19H15N3O2S/c3*1-12-6-8-14(9-7-12)17-11-15-16(10-13-4-2-3-5-13)22-23-18(20(21)24)19(15)25-17;2*1-11-2-4-13(5-3-11)16-9-14-15(8-12-6-7-24-10-12)21-22-17(19(20)23)18(14)25-16/h3*2,4-9,11H,3,10H2,1H3,(H2,21,24);2*2-7,9-10H,8H2,1H3,(H2,20,23)
• InChIKey: AAPZXHOBFINOGM-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 370.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.16
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)?

The IUPAC name of tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide) (CID 157054843) is tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide).

What is the SMILES notation for tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)?

The canonical SMILES for tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide) is Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccoc4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccoc4)nnc(C(N)=O)c3s2)cc1.

What is the InChIKey of tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)?

The InChIKey is AAPZXHOBFINOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H17N3OS.2C19H15N3O2S/c3*1-12-6-8-14(9-7-12)17-11-15-16(10-13-4-2-3-5-13)22-23-18(20(21)24)19(15)25-17;2*1-11-2-4-13(5-3-11)16-9-14-15(8-12-6-7-24-10-12)21-22-17(19(20)23)18(14)25-16/h3*2,4-9,11H,3,10H2,1H3,(H2,21,24);2*2-7,9-10H,8H2,1H3,(H2,20,23).

What are the key properties of tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)?

tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide) has a molecular weight of 1741.16 g/mol, XLogP of 20.48, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide) is sourced from PubChem (CID 157054843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).