8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol

C74H62Br2O8 — CID 101087721

About 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol

8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol (PubChem CID 101087721) has the molecular formula C74H62Br2O8 and a molecular weight of 1239.11 g/mol. Its IUPAC name is 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol.

Molecular Properties

• Compound Name: 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol
• PubChem CID: 101087721
• Molecular Formula: C74H62Br2O8
• Molecular Weight: 1239.11 g/mol
• Exact Mass: 1236.28
• IUPAC Name: 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol
• SMILES: Oc1cc2c3cc1C(CCc1ccccc1)c1cc4c(cc1O)OC(c1ccc(Br)cc1)Oc1cc(O)c(cc1C4CCc1ccccc1)C(CCc1ccccc1)c1cc(c(cc1O)OC(c1ccc(Br)cc1)O2)C3CCc1ccccc1
• InChI: InChI=1S/C74H62Br2O8/c75-51-29-25-49(26-30-51)73-81-69-41-65(77)57-37-61(69)55(35-23-47-17-9-3-10-18-47)63-39-59(67(79)43-71(63)83-73)54(34-22-46-15-7-2-8-16-46)60-40-64-56(36-24-48-19-11-4-12-20-48)62-38-58(53(57)33-21-45-13-5-1-6-14-45)66(78)42-70(62)82-74(84-72(64)44-68(60)80)50-27-31-52(76)32-28-50/h1-20,25-32,37-44,53-56,73-74,77-80H,21-24,33-36H2
• InChIKey: RFOXMLYESWEHDE-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 117.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1239.11
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol?

The IUPAC name of 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol (CID 101087721) is 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol.

What is the SMILES notation for 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol?

The canonical SMILES for 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol is Oc1cc2c3cc1C(CCc1ccccc1)c1cc4c(cc1O)OC(c1ccc(Br)cc1)Oc1cc(O)c(cc1C4CCc1ccccc1)C(CCc1ccccc1)c1cc(c(cc1O)OC(c1ccc(Br)cc1)O2)C3CCc1ccccc1.

What is the InChIKey of 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol?

The InChIKey is RFOXMLYESWEHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62Br2O8/c75-51-29-25-49(26-30-51)73-81-69-41-65(77)57-37-61(69)55(35-23-47-17-9-3-10-18-47)63-39-59(67(79)43-71(63)83-73)54(34-22-46-15-7-2-8-16-46)60-40-64-56(36-24-48-19-11-4-12-20-48)62-38-58(53(57)33-21-45-13-5-1-6-14-45)66(78)42-70(62)82-74(84-72(64)44-68(60)80)50-27-31-52(76)32-28-50/h1-20,25-32,37-44,53-56,73-74,77-80H,21-24,33-36H2.

What are the key properties of 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol?

8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol has a molecular weight of 1239.11 g/mol, XLogP of 18.35, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8,20-bis(4-bromophenyl)-2,14,27,32-tetrakis(2-phenylethyl)-7,9,19,21-tetraoxaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(25),3(34),4,6(33),10(31),11,13(30),15(29),16,18(28),22(26),23-dodecaene-4,12,16,24-tetrol is sourced from PubChem (CID 101087721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).