2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole

C71H94N2O12 — CID 102284589

IUPAC2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole
SMILESCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)Oc1ccc(-c2nc3c(-c4ccc(-c5ccccc5)cc4)ccc(-c4ccc(-c5ccccc5)cc4)c3[nH]2)cc1
InChIInChI=1S/C71H94N2O12/c1-48(37-74-12)75-38-49(2)76-39-50(3)77-40-51(4)78-41-52(5)79-42-53(6)80-43-54(7)81-44-55(8)82-45-56(9)83-46-57(10)84-47-58(11)85-66-33-31-65(32-34-66)71-72-69-67(63-27-23-61(24-28-63)59-19-15-13-16-20-59)35-36-68(70(69)73-71)64-29-25-62(26-30-64)60-21-17-14-18-22-60/h13-36,48-58H,37-47H2,1-12H3,(H,72,73)
InChIKeyAHUCXPUNMXMBPW-UHFFFAOYSA-N
MW1167.53 g/mol
LogP14.36
Rot. Bonds39

About 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole

2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole (PubChem CID 102284589) has the molecular formula C71H94N2O12 and a molecular weight of 1167.53 g/mol. Its IUPAC name is 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole
PubChem CID102284589
Molecular FormulaC71H94N2O12
Molecular Weight1167.53 g/mol
Exact Mass1166.68
IUPAC Name2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole
SMILESCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)Oc1ccc(-c2nc3c(-c4ccc(-c5ccccc5)cc4)ccc(-c4ccc(-c5ccccc5)cc4)c3[nH]2)cc1
InChIInChI=1S/C71H94N2O12/c1-48(37-74-12)75-38-49(2)76-39-50(3)77-40-51(4)78-41-52(5)79-42-53(6)80-43-54(7)81-44-55(8)82-45-56(9)83-46-57(10)84-47-58(11)85-66-33-31-65(32-34-66)71-72-69-67(63-27-23-61(24-28-63)59-19-15-13-16-20-59)35-36-68(70(69)73-71)64-29-25-62(26-30-64)60-21-17-14-18-22-60/h13-36,48-58H,37-47H2,1-12H3,(H,72,73)
InChIKeyAHUCXPUNMXMBPW-UHFFFAOYSA-N
XLogP14.36
TPSA139.44 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds39
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.53
LogP ≤ 514.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole (CID 102284589) is 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole is COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)Oc1ccc(-c2nc3c(-c4ccc(-c5ccccc5)cc4)ccc(-c4ccc(-c5ccccc5)cc4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
The InChIKey is AHUCXPUNMXMBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H94N2O12/c1-48(37-74-12)75-38-49(2)76-39-50(3)77-40-51(4)78-41-52(5)79-42-53(6)80-43-54(7)81-44-55(8)82-45-56(9)83-46-57(10)84-47-58(11)85-66-33-31-65(32-34-66)71-72-69-67(63-27-23-61(24-28-63)59-19-15-13-16-20-59)35-36-68(70(69)73-71)64-29-25-62(26-30-64)60-21-17-14-18-22-60/h13-36,48-58H,37-47H2,1-12H3,(H,72,73).
What are the key properties of 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole has a molecular weight of 1167.53 g/mol, XLogP of 14.36, 39 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 102284589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).