8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide

C73H54Cl2N6O4 — CID 59146461

About 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide

8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide (PubChem CID 59146461) has the molecular formula C73H54Cl2N6O4 and a molecular weight of 1150.18 g/mol. Its IUPAC name is 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide.

Molecular Properties

• Compound Name: 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide
• PubChem CID: 59146461
• Molecular Formula: C73H54Cl2N6O4
• Molecular Weight: 1150.18 g/mol
• Exact Mass: 1148.36
• IUPAC Name: 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide
• SMILES: CCc1ccccc1N(C)C(=O)c1cc2ccc3c(c2c(/N=N/c2ccc4c(c2)C(=O)c2cccc5c(/N=N/c6c(OC)c(C(=O)N(C)c7ccccc7CC)cc7ccc8c(c67)Cc6ccc(Cl)cc6-8)ccc-4c25)c1C)Cc1ccc(Cl)cc1-3
• InChI: InChI=1S/C73H54Cl2N6O4/c1-7-40-14-9-11-18-63(40)80(4)72(83)55-34-44-22-27-50-56-36-46(74)24-20-42(56)32-58(50)65(44)68(39(55)3)78-76-48-26-29-49-52-30-31-62(53-16-13-17-54(67(52)53)70(82)60(49)38-48)77-79-69-66-45(23-28-51-57-37-47(75)25-21-43(57)33-59(51)66)35-61(71(69)85-6)73(84)81(5)64-19-12-10-15-41(64)8-2/h9-31,34-38H,7-8,32-33H2,1-6H3/b78-76+,79-77+
• InChIKey: SUMQRKOLMOBTBH-GWISRCQCSA-N
• XLogP: 19.63
• TPSA: 116.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.18
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide?

The IUPAC name of 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide (CID 59146461) is 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide.

What is the SMILES notation for 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide?

The canonical SMILES for 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide is CCc1ccccc1N(C)C(=O)c1cc2ccc3c(c2c(/N=N/c2ccc4c(c2)C(=O)c2cccc5c(/N=N/c6c(OC)c(C(=O)N(C)c7ccccc7CC)cc7ccc8c(c67)Cc6ccc(Cl)cc6-8)ccc-4c25)c1C)Cc1ccc(Cl)cc1-3.

What is the InChIKey of 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide?

The InChIKey is SUMQRKOLMOBTBH-GWISRCQCSA-N. The full InChI is InChI=1S/C73H54Cl2N6O4/c1-7-40-14-9-11-18-63(40)80(4)72(83)55-34-44-22-27-50-56-36-46(74)24-20-42(56)32-58(50)65(44)68(39(55)3)78-76-48-26-29-49-52-30-31-62(53-16-13-17-54(67(52)53)70(82)60(49)38-48)77-79-69-66-45(23-28-51-57-37-47(75)25-21-43(57)33-59(51)66)35-61(71(69)85-6)73(84)81(5)64-19-12-10-15-41(64)8-2/h9-31,34-38H,7-8,32-33H2,1-6H3/b78-76+,79-77+.

What are the key properties of 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide?

8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide has a molecular weight of 1150.18 g/mol, XLogP of 19.63, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide is sourced from PubChem (CID 59146461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).