(10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol

C74H80N4O4 — CID 139241725

About (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol

(10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol (PubChem CID 139241725) has the molecular formula C74H80N4O4 and a molecular weight of 1089.48 g/mol. Its IUPAC name is (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol.

Molecular Properties

• Compound Name: (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol
• PubChem CID: 139241725
• Molecular Formula: C74H80N4O4
• Molecular Weight: 1089.48 g/mol
• Exact Mass: 1088.62
• IUPAC Name: (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)/C=N/[C@H](c1ccccc1)[C@@H](c1ccccc1)/N=C/c1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)/C=N\[C@H](c1ccccc1)[C@@H](c1ccccc1)/N=C\2
• InChI: InChI=1S/C74H80N4O4/c1-71(2,3)59-35-51-33-52-36-60(72(4,5)6)40-56(68(52)80)44-77-65(49-29-21-15-22-30-49)66(50-31-23-16-24-32-50)78-46-58-42-62(74(10,11)12)38-54(70(58)82)34-53-37-61(73(7,8)9)41-57(69(53)81)45-76-64(48-27-19-14-20-28-48)63(47-25-17-13-18-26-47)75-43-55(39-59)67(51)79/h13-32,35-46,63-66,79-82H,33-34H2,1-12H3/b75-43-,76-45-,77-44+,78-46+/t63-,64-,65-,66-/m1/s1
• InChIKey: FABFXCOHPPYAEA-YMAWGQIESA-N
• XLogP: 17.24
• TPSA: 130.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.48
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol?

The IUPAC name of (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol (CID 139241725) is (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol.

What is the SMILES notation for (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol?

The canonical SMILES for (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)/C=N/[C@H](c1ccccc1)[C@@H](c1ccccc1)/N=C/c1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)/C=N\[C@H](c1ccccc1)[C@@H](c1ccccc1)/N=C\2.

What is the InChIKey of (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol?

The InChIKey is FABFXCOHPPYAEA-YMAWGQIESA-N. The full InChI is InChI=1S/C74H80N4O4/c1-71(2,3)59-35-51-33-52-36-60(72(4,5)6)40-56(68(52)80)44-77-65(49-29-21-15-22-30-49)66(50-31-23-16-24-32-50)78-46-58-42-62(74(10,11)12)38-54(70(58)82)34-53-37-61(73(7,8)9)41-57(69(53)81)45-76-64(48-27-19-14-20-28-48)63(47-25-17-13-18-26-47)75-43-55(39-59)67(51)79/h13-32,35-46,63-66,79-82H,33-34H2,1-12H3/b75-43-,76-45-,77-44+,78-46+/t63-,64-,65-,66-/m1/s1.

What are the key properties of (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol?

(10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol has a molecular weight of 1089.48 g/mol, XLogP of 17.24, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R,11R,27R,28R)-5,16,22,33-tetratert-butyl-10,11,27,28-tetraphenyl-9,12,26,29-tetrazapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,8,12,14,16,18(37),20(36),21,23,25,29,31,33-hexadecaene-35,36,37,38-tetrol is sourced from PubChem (CID 139241725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).