8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

C89H75N9 — CID 129305177

About 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (PubChem CID 129305177) has the molecular formula C89H75N9 and a molecular weight of 1270.64 g/mol. Its IUPAC name is 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.

Molecular Properties

• Compound Name: 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
• PubChem CID: 129305177
• Molecular Formula: C89H75N9
• Molecular Weight: 1270.64 g/mol
• Exact Mass: 1269.61
• IUPAC Name: 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
• SMILES: C=CC1c2ccccc2N2c3cccnc3N(c3ccccc3-c3ccccc3)C2C1(C)CC1(C=C)c2ccccc2N2c3nccnc3N(c3ccccc3-c3ccccc3)C2C1(C)CC1(C=C)c2ccccc2N2c3ccccc3N(c3ccccc3-c3ccccc3)C2C1C
• InChI: InChI=1S/C89H75N9/c1-7-68-67-43-22-28-49-74(67)95-79-54-33-55-90-80(79)96(72-47-26-20-41-65(72)62-36-15-11-16-37-62)84(95)86(68,5)58-89(9-3)70-45-24-30-51-76(70)98-82-81(91-56-57-92-82)97(73-48-27-21-42-66(73)63-38-17-12-18-39-63)85(98)87(89,6)59-88(8-2)60(4)83-93(71-46-25-19-40-64(71)61-34-13-10-14-35-61)77-52-31-32-53-78(77)94(83)75-50-29-23-44-69(75)88/h7-57,60,68,83-85H,1-3,58-59H2,4-6H3
• InChIKey: MDDOSJGIUAIGAN-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 58.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1270.64
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?

The IUPAC name of 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (CID 129305177) is 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.

What is the SMILES notation for 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?

The canonical SMILES for 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is C=CC1c2ccccc2N2c3cccnc3N(c3ccccc3-c3ccccc3)C2C1(C)CC1(C=C)c2ccccc2N2c3nccnc3N(c3ccccc3-c3ccccc3)C2C1(C)CC1(C=C)c2ccccc2N2c3ccccc3N(c3ccccc3-c3ccccc3)C2C1C.

What is the InChIKey of 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?

The InChIKey is MDDOSJGIUAIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H75N9/c1-7-68-67-43-22-28-49-74(67)95-79-54-33-55-90-80(79)96(72-47-26-20-41-65(72)62-36-15-11-16-37-62)84(95)86(68,5)58-89(9-3)70-45-24-30-51-76(70)98-82-81(91-56-57-92-82)97(73-48-27-21-42-66(73)63-38-17-12-18-39-63)85(98)87(89,6)59-88(8-2)60(4)83-93(71-46-25-19-40-64(71)61-34-13-10-14-35-61)77-52-31-32-53-78(77)94(83)75-50-29-23-44-69(75)88/h7-57,60,68,83-85H,1-3,58-59H2,4-6H3.

What are the key properties of 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?

8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene has a molecular weight of 1270.64 g/mol, XLogP of 21.71, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethenyl-9-[[5-ethenyl-6-methyl-7-(2-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinolin-5-yl]methyl]-8-[[8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaen-9-yl]methyl]-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is sourced from PubChem (CID 129305177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).