10-(4-bromophenyl)-15-[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]-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

C64H40Br2O2 — CID 59538651

About 10-(4-bromophenyl)-15-[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]-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-[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]-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 59538651) has the molecular formula C64H40Br2O2 and a molecular weight of 1000.83 g/mol. Its IUPAC name is 10-(4-bromophenyl)-15-[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]-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-[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]-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: 59538651
• Molecular Formula: C64H40Br2O2
• Molecular Weight: 1000.83 g/mol
• Exact Mass: 998.14
• IUPAC Name: 10-(4-bromophenyl)-15-[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]-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(-c6ccc7c8c(cccc68)C6C7C7(c8ccc(Br)cc8)OC6(c6ccccc6)c6ccccc67)ccc(c45)C23)cc1
• InChI: InChI=1S/C64H40Br2O2/c65-41-29-25-39(26-30-41)63-53-23-9-7-21-51(53)61(67-63,37-13-3-1-4-14-37)57-47-19-11-17-45-43(33-35-49(55(45)47)59(57)63)44-34-36-50-56-46(44)18-12-20-48(56)58-60(50)64(40-27-31-42(66)32-28-40)54-24-10-8-22-52(54)62(58,68-64)38-15-5-2-6-16-38/h1-36,57-60H
• InChIKey: HZRZVVKWLNKOEE-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.83
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-15-[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]-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-[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]-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 59538651) is 10-(4-bromophenyl)-15-[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]-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-[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]-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-[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]-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(-c6ccc7c8c(cccc68)C6C7C7(c8ccc(Br)cc8)OC6(c6ccccc6)c6ccccc67)ccc(c45)C23)cc1.

What is the InChIKey of 10-(4-bromophenyl)-15-[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]-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 HZRZVVKWLNKOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40Br2O2/c65-41-29-25-39(26-30-41)63-53-23-9-7-21-51(53)61(67-63,37-13-3-1-4-14-37)57-47-19-11-17-45-43(33-35-49(55(45)47)59(57)63)44-34-36-50-56-46(44)18-12-20-48(56)58-60(50)64(40-27-31-42(66)32-28-40)54-24-10-8-22-52(54)62(58,68-64)38-15-5-2-6-16-38/h1-36,57-60H.

What are the key properties of 10-(4-bromophenyl)-15-[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]-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-[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]-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 1000.83 g/mol, XLogP of 16.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-bromophenyl)-15-[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]-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 59538651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).