5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol

C65H45N15O15 — CID 177492854

About 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol

5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol (PubChem CID 177492854) has the molecular formula C65H45N15O15 and a molecular weight of 1276.16 g/mol. Its IUPAC name is 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol.

Molecular Properties

• Compound Name: 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
• PubChem CID: 177492854
• Molecular Formula: C65H45N15O15
• Molecular Weight: 1276.16 g/mol
• Exact Mass: 1275.32
• IUPAC Name: 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
• SMILES: O=[N+]([O-])c1ccc(/N=N\c2cc3c(O)c(c2)Cc2cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c2O)Cc2cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c2O)Cc2cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c2O)Cc2cc(/N=N\c4ccc([N+](=O)[O-])cc4)cc(c2O)C3)cc1
• InChI: InChI=1S/C65H45N15O15/c81-61-36-21-38-28-52(72-67-47-3-13-57(14-4-47)77(88)89)30-40(62(38)82)23-42-32-54(74-69-49-7-17-59(18-8-49)79(92)93)34-44(64(42)84)25-45-35-55(75-70-50-9-19-60(20-10-50)80(94)95)33-43(65(45)85)24-41-31-53(73-68-48-5-15-58(16-6-48)78(90)91)29-39(63(41)83)22-37(61)27-51(26-36)71-66-46-1-11-56(12-2-46)76(86)87/h1-20,26-35,81-85H,21-25H2/b71-66-,72-67-,73-68+,74-69+,75-70+
• InChIKey: QQRVAGLABRKPJD-WTWQKQDYSA-N
• XLogP: 18.10
• TPSA: 440.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.16
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol?

The IUPAC name of 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol (CID 177492854) is 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol.

What is the SMILES notation for 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol?

The canonical SMILES for 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol is O=[N+]([O-])c1ccc(/N=N\c2cc3c(O)c(c2)Cc2cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c2O)Cc2cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c2O)Cc2cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c2O)Cc2cc(/N=N\c4ccc([N+](=O)[O-])cc4)cc(c2O)C3)cc1.

What is the InChIKey of 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol?

The InChIKey is QQRVAGLABRKPJD-WTWQKQDYSA-N. The full InChI is InChI=1S/C65H45N15O15/c81-61-36-21-38-28-52(72-67-47-3-13-57(14-4-47)77(88)89)30-40(62(38)82)23-42-32-54(74-69-49-7-17-59(18-8-49)79(92)93)34-44(64(42)84)25-45-35-55(75-70-50-9-19-60(20-10-50)80(94)95)33-43(65(45)85)24-41-31-53(73-68-48-5-15-58(16-6-48)78(90)91)29-39(63(41)83)22-37(61)27-51(26-36)71-66-46-1-11-56(12-2-46)76(86)87/h1-20,26-35,81-85H,21-25H2/b71-66-,72-67-,73-68+,74-69+,75-70+.

What are the key properties of 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol?

5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol has a molecular weight of 1276.16 g/mol, XLogP of 18.10, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol is sourced from PubChem (CID 177492854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).