5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene

C75H66N6O3 — CID 176823297

About 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene

5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene (PubChem CID 176823297) has the molecular formula C75H66N6O3 and a molecular weight of 1099.39 g/mol. Its IUPAC name is 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene
• PubChem CID: 176823297
• Molecular Formula: C75H66N6O3
• Molecular Weight: 1099.39 g/mol
• Exact Mass: 1098.52
• IUPAC Name: 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene
• SMILES: Cc1cc2c(oc3c(C)nc4oc5c(-c6nc7ccccc7n6-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)cc(Oc6cccc(-c7nc8ccccc8n7-c7c(C(C)C)cc(-c8ccccc8)cc7C(C)C)c6)cc5c4c32)c(C)n1
• InChI: InChI=1S/C75H66N6O3/c1-41(2)55-35-51(48-23-14-12-15-24-48)36-56(42(3)4)68(55)80-64-31-20-18-29-62(64)78-73(80)50-27-22-28-53(34-50)82-54-39-60-67-66-59-33-45(9)76-46(10)70(59)83-71(66)47(11)77-75(67)84-72(60)61(40-54)74-79-63-30-19-21-32-65(63)81(74)69-57(43(5)6)37-52(38-58(69)44(7)8)49-25-16-13-17-26-49/h12-44H,1-11H3
• InChIKey: YQTWDCHTKVPCCR-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 96.93 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.39
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?

The IUPAC name of 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene (CID 176823297) is 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene.

What is the SMILES notation for 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?

The canonical SMILES for 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene is Cc1cc2c(oc3c(C)nc4oc5c(-c6nc7ccccc7n6-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)cc(Oc6cccc(-c7nc8ccccc8n7-c7c(C(C)C)cc(-c8ccccc8)cc7C(C)C)c6)cc5c4c32)c(C)n1.

What is the InChIKey of 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?

The InChIKey is YQTWDCHTKVPCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H66N6O3/c1-41(2)55-35-51(48-23-14-12-15-24-48)36-56(42(3)4)68(55)80-64-31-20-18-29-62(64)78-73(80)50-27-22-28-53(34-50)82-54-39-60-67-66-59-33-45(9)76-46(10)70(59)83-71(66)47(11)77-75(67)84-72(60)61(40-54)74-79-63-30-19-21-32-65(63)81(74)69-57(43(5)6)37-52(38-58(69)44(7)8)49-25-16-13-17-26-49/h12-44H,1-11H3.

What are the key properties of 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?

5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene has a molecular weight of 1099.39 g/mol, XLogP of 20.83, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene is sourced from PubChem (CID 176823297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).