2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane

C106H130N4O12 — CID 139050973

IUPAC2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3[nH]c(-c4ccc(-c5ccc(-c6nc7c(-c8ccc(C(C)(C)C)cc8)ccc(-c8ccc(C(C)(C)C)cc8)c7[nH]6)cc5)cc4)nc23)cc1.c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2
InChIInChI=1S/C66H66N4.C24H32O8.4C4H8O/c1-63(2,3)49-29-21-43(22-30-49)53-37-38-54(44-23-31-50(32-24-44)64(4,5)6)58-57(53)67-61(68-58)47-17-13-41(14-18-47)42-15-19-48(20-16-42)62-69-59-55(45-25-33-51(34-26-45)65(7,8)9)39-40-56(60(59)70-62)46-27-35-52(36-28-46)66(10,11)12;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22;4*1-2-4-5-3-1/h13-40H,1-12H3,(H,67,68)(H,69,70);1-8H,9-20H2;4*1-4H2
InChIKeyQEKMSVDECDMBJP-UHFFFAOYSA-N
MW1652.22 g/mol
LogP24.47
Rot. Bonds7

About 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane

2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane (PubChem CID 139050973) has the molecular formula C106H130N4O12 and a molecular weight of 1652.22 g/mol. Its IUPAC name is 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane.

Molecular Properties

Compound Name2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane
PubChem CID139050973
Molecular FormulaC106H130N4O12
Molecular Weight1652.22 g/mol
Exact Mass1650.97
IUPAC Name2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3[nH]c(-c4ccc(-c5ccc(-c6nc7c(-c8ccc(C(C)(C)C)cc8)ccc(-c8ccc(C(C)(C)C)cc8)c7[nH]6)cc5)cc4)nc23)cc1.c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2
InChIInChI=1S/C66H66N4.C24H32O8.4C4H8O/c1-63(2,3)49-29-21-43(22-30-49)53-37-38-54(44-23-31-50(32-24-44)64(4,5)6)58-57(53)67-61(68-58)47-17-13-41(14-18-47)42-15-19-48(20-16-42)62-69-59-55(45-25-33-51(34-26-45)65(7,8)9)39-40-56(60(59)70-62)46-27-35-52(36-28-46)66(10,11)12;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22;4*1-2-4-5-3-1/h13-40H,1-12H3,(H,67,68)(H,69,70);1-8H,9-20H2;4*1-4H2
InChIKeyQEKMSVDECDMBJP-UHFFFAOYSA-N
XLogP24.47
TPSA168.12 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.22
LogP ≤ 524.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane 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-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane?
The IUPAC name of 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane (CID 139050973) is 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane.
What is the SMILES notation for 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane?
The canonical SMILES for 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3[nH]c(-c4ccc(-c5ccc(-c6nc7c(-c8ccc(C(C)(C)C)cc8)ccc(-c8ccc(C(C)(C)C)cc8)c7[nH]6)cc5)cc4)nc23)cc1.c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2.
What is the InChIKey of 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane?
The InChIKey is QEKMSVDECDMBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66N4.C24H32O8.4C4H8O/c1-63(2,3)49-29-21-43(22-30-49)53-37-38-54(44-23-31-50(32-24-44)64(4,5)6)58-57(53)67-61(68-58)47-17-13-41(14-18-47)42-15-19-48(20-16-42)62-69-59-55(45-25-33-51(34-26-45)65(7,8)9)39-40-56(60(59)70-62)46-27-35-52(36-28-46)66(10,11)12;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22;4*1-2-4-5-3-1/h13-40H,1-12H3,(H,67,68)(H,69,70);1-8H,9-20H2;4*1-4H2.
What are the key properties of 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane?
2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane has a molecular weight of 1652.22 g/mol, XLogP of 24.47, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4,7-bis(4-tert-butylphenyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-4,7-bis(4-tert-butylphenyl)-1H-benzimidazole;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;oxolane is sourced from PubChem (CID 139050973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).