1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide

C92H70N14O6 — CID 23397888

About 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide

1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 23397888) has the molecular formula C92H70N14O6 and a molecular weight of 1467.66 g/mol. Its IUPAC name is 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide
• PubChem CID: 23397888
• Molecular Formula: C92H70N14O6
• Molecular Weight: 1467.66 g/mol
• Exact Mass: 1466.56
• IUPAC Name: 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide
• SMILES: CCc1ccccc1NOCc1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cn3)cc2)c1O
• InChI: InChI=1S/C92H70N14O6/c1-4-52-19-7-13-25-72(52)97-91(110)70-48-56-32-44-68-65-23-11-17-29-76(65)95-83(68)80(56)86(89(70)108)103-100-60-36-41-63(42-37-60)106(62-39-34-59(35-40-62)99-102-85-79-55(31-43-67-64-22-10-16-28-75(64)94-82(67)79)47-58(88(85)107)51-112-105-74-27-15-9-21-54(74)6-3)78-46-38-61(50-93-78)101-104-87-81-57(33-45-69-66-24-12-18-30-77(66)96-84(69)81)49-71(90(87)109)92(111)98-73-26-14-8-20-53(73)5-2/h7-50,94-96,105,107-109H,4-6,51H2,1-3H3,(H,97,110)(H,98,111)/b102-99+,103-100+,104-101+
• InChIKey: PWGUNGLORVKGOA-QVZQDCCMSA-N
• XLogP: 25.01
• TPSA: 277.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1467.66
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?

The IUPAC name of 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide (CID 23397888) is 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide.

What is the SMILES notation for 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?

The canonical SMILES for 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide is CCc1ccccc1NOCc1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cn3)cc2)c1O.

What is the InChIKey of 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?

The InChIKey is PWGUNGLORVKGOA-QVZQDCCMSA-N. The full InChI is InChI=1S/C92H70N14O6/c1-4-52-19-7-13-25-72(52)97-91(110)70-48-56-32-44-68-65-23-11-17-29-76(65)95-83(68)80(56)86(89(70)108)103-100-60-36-41-63(42-37-60)106(62-39-34-59(35-40-62)99-102-85-79-55(31-43-67-64-22-10-16-28-75(64)94-82(67)79)47-58(88(85)107)51-112-105-74-27-15-9-21-54(74)6-3)78-46-38-61(50-93-78)101-104-87-81-57(33-45-69-66-24-12-18-30-77(66)96-84(69)81)49-71(90(87)109)92(111)98-73-26-14-8-20-53(73)5-2/h7-50,94-96,105,107-109H,4-6,51H2,1-3H3,(H,97,110)(H,98,111)/b102-99+,103-100+,104-101+.

What are the key properties of 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?

1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 1467.66 g/mol, XLogP of 25.01, 20 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 23397888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).