2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene

C51H48N2 — CID 143301073

About 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene

2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene (PubChem CID 143301073) has the molecular formula C51H48N2 and a molecular weight of 688.96 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene
• PubChem CID: 143301073
• Molecular Formula: C51H48N2
• Molecular Weight: 688.96 g/mol
• Exact Mass: 688.38
• IUPAC Name: 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene
• SMILES: C=C/C=C\C.C=C/C=C\c1c(C)c2ccccc2n1-c1ccc(Cc2ccc(Cc3ccc(-n4c(/C=C\C=C)c(C)c5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C46H40N2.C5H8/c1-5-7-15-43-33(3)41-13-9-11-17-45(41)47(43)39-27-23-37(24-28-39)31-35-19-21-36(22-20-35)32-38-25-29-40(30-26-38)48-44(16-8-6-2)34(4)42-14-10-12-18-46(42)48;1-3-5-4-2/h5-30H,1-2,31-32H2,3-4H3;3-5H,1H2,2H3/b15-7-,16-8-;5-4-
• InChIKey: DZWCKDQPLUGTTM-BMLPNJJTSA-N
• XLogP: 13.52
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.96
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene?

The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene (CID 143301073) is 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene.

What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene?

The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene is C=C/C=C\C.C=C/C=C\c1c(C)c2ccccc2n1-c1ccc(Cc2ccc(Cc3ccc(-n4c(/C=C\C=C)c(C)c5ccccc54)cc3)cc2)cc1.

What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene?

The InChIKey is DZWCKDQPLUGTTM-BMLPNJJTSA-N. The full InChI is InChI=1S/C46H40N2.C5H8/c1-5-7-15-43-33(3)41-13-9-11-17-45(41)47(43)39-27-23-37(24-28-39)31-35-19-21-36(22-20-35)32-38-25-29-40(30-26-38)48-44(16-8-6-2)34(4)42-14-10-12-18-46(42)48;1-3-5-4-2/h5-30H,1-2,31-32H2,3-4H3;3-5H,1H2,2H3/b15-7-,16-8-;5-4-.

What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene?

2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene has a molecular weight of 688.96 g/mol, XLogP of 13.52, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143301073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).