10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene

C70H44Br2O2 — CID 59538660

About 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene

10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene (PubChem CID 59538660) has the molecular formula C70H44Br2O2 and a molecular weight of 1076.93 g/mol. Its IUPAC name is 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene.

Molecular Properties

• Compound Name: 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
• PubChem CID: 59538660
• Molecular Formula: C70H44Br2O2
• Molecular Weight: 1076.93 g/mol
• Exact Mass: 1074.17
• IUPAC Name: 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
• SMILES: Brc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5c(-c6ccc(-c7ccc8c9c(cccc79)C7C8C8(c9ccc(Br)cc9)OC7(c7ccccc7)c7ccccc78)cc6)ccc(c45)C23)cc1
• InChI: InChI=1S/C70H44Br2O2/c71-47-33-29-45(30-34-47)69-59-23-9-7-21-57(59)67(73-69,43-13-3-1-4-14-43)63-53-19-11-17-51-49(37-39-55(61(51)53)65(63)69)41-25-27-42(28-26-41)50-38-40-56-62-52(50)18-12-20-54(62)64-66(56)70(46-31-35-48(72)36-32-46)60-24-10-8-22-58(60)68(64,74-70)44-15-5-2-6-16-44/h1-40,63-66H
• InChIKey: RHMNZKWXWVXIGX-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.93
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?

The IUPAC name of 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene (CID 59538660) is 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene.

What is the SMILES notation for 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?

The canonical SMILES for 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene is Brc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5c(-c6ccc(-c7ccc8c9c(cccc79)C7C8C8(c9ccc(Br)cc9)OC7(c7ccccc7)c7ccccc78)cc6)ccc(c45)C23)cc1.

What is the InChIKey of 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?

The InChIKey is RHMNZKWXWVXIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44Br2O2/c71-47-33-29-45(30-34-47)69-59-23-9-7-21-57(59)67(73-69,43-13-3-1-4-14-43)63-53-19-11-17-51-49(37-39-55(61(51)53)65(63)69)41-25-27-42(28-26-41)50-38-40-56-62-52(50)18-12-20-54(62)64-66(56)70(46-31-35-48(72)36-32-46)60-24-10-8-22-58(60)68(64,74-70)44-15-5-2-6-16-44/h1-40,63-66H.

What are the key properties of 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?

10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene has a molecular weight of 1076.93 g/mol, XLogP of 17.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene is sourced from PubChem (CID 59538660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).