5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid

C70H79N3O6 — CID 123698257

About 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid

5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid (PubChem CID 123698257) has the molecular formula C70H79N3O6 and a molecular weight of 1058.42 g/mol. Its IUPAC name is 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid
• PubChem CID: 123698257
• Molecular Formula: C70H79N3O6
• Molecular Weight: 1058.42 g/mol
• Exact Mass: 1057.60
• IUPAC Name: 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid
• SMILES: C=C(c1ccc(C(=O)OC)nc1)c1cc2c(cc1C)C(C)(CCC1(C)CCC(C)(CCC3(C)CCC(C)(C)c4cc(C)c(C(=C)c5ccc(C(=O)O)nc5)cc43)c3cc(C)c(C(=C)c4ccc(C(=O)O)nc4)cc31)CCC2(C)C
• InChI: InChI=1S/C70H79N3O6/c1-41-32-53-57(36-51(41)45(5)47-16-19-59(62(74)75)71-38-47)68(12,25-22-65(53,7)8)27-28-69(13)29-31-70(14,58-37-52(43(3)34-56(58)69)46(6)48-17-20-60(63(76)77)72-39-48)30-26-67(11)24-23-66(9,10)54-35-50(42(2)33-55(54)67)44(4)49-18-21-61(73-40-49)64(78)79-15/h16-21,32-40H,4-6,22-31H2,1-3,7-15H3,(H,74,75)(H,76,77)
• InChIKey: CEXNRGKDFDPDPW-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 139.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.42
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid?

The IUPAC name of 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid (CID 123698257) is 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid?

The canonical SMILES for 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid is C=C(c1ccc(C(=O)OC)nc1)c1cc2c(cc1C)C(C)(CCC1(C)CCC(C)(CCC3(C)CCC(C)(C)c4cc(C)c(C(=C)c5ccc(C(=O)O)nc5)cc43)c3cc(C)c(C(=C)c4ccc(C(=O)O)nc4)cc31)CCC2(C)C.

What is the InChIKey of 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid?

The InChIKey is CEXNRGKDFDPDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H79N3O6/c1-41-32-53-57(36-51(41)45(5)47-16-19-59(62(74)75)71-38-47)68(12,25-22-65(53,7)8)27-28-69(13)29-31-70(14,58-37-52(43(3)34-56(58)69)46(6)48-17-20-60(63(76)77)72-39-48)30-26-67(11)24-23-66(9,10)54-35-50(42(2)33-55(54)67)44(4)49-18-21-61(73-40-49)64(78)79-15/h16-21,32-40H,4-6,22-31H2,1-3,7-15H3,(H,74,75)(H,76,77).

What are the key properties of 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid?

5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid has a molecular weight of 1058.42 g/mol, XLogP of 16.09, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[8-[2-[6-[1-(6-carboxy-3-pyridinyl)ethenyl]-4-[2-[6-[1-(6-methoxycarbonyl-3-pyridinyl)ethenyl]-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]ethyl]-1,4,7-trimethyl-2,3-dihydronaphthalen-1-yl]ethyl]-3,5,5,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123698257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).