9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine

C₇₂H₄₄F₂N₄O₂ — CID 154624011

About 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine

9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine (PubChem CID 154624011) has the molecular formula C₇₂H₄₄F₂N₄O₂ and a molecular weight of 1035.17 g/mol. Its IUPAC name is 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine.

Molecular Properties

• Compound Name: 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine
• PubChem CID: 154624011
• Molecular Formula: C₇₂H₄₄F₂N₄O₂
• Molecular Weight: 1035.17 g/mol
• Exact Mass: 1034.34
• IUPAC Name: 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine
• SMILES: Fc1ccc2oc3c(ccc4c3c3cc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7c9oc%10ccc(F)cc%10c9ccc7n8-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)c2c1
• InChI: InChI=1S/C72H44F2N4O2/c73-47-25-39-67-59(41-47)57-33-37-65-69(71(57)79-67)61-43-55(31-35-63(61)77(65)51-17-9-3-10-18-51)75(49-13-5-1-6-14-49)53-27-21-45(22-28-53)46-23-29-54(30-24-46)76(50-15-7-2-8-16-50)56-32-36-64-62(44-56)70-66(78(64)52-19-11-4-12-20-52)38-34-58-60-42-48(74)26-40-68(60)80-72(58)70/h1-44H
• InChIKey: YRMIIBSPFBNJIB-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.17
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?

The IUPAC name of 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine (CID 154624011) is 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine.

What is the SMILES notation for 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?

The canonical SMILES for 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine is Fc1ccc2oc3c(ccc4c3c3cc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7c9oc%10ccc(F)cc%10c9ccc7n8-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)c2c1.

What is the InChIKey of 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?

The InChIKey is YRMIIBSPFBNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44F2N4O2/c73-47-25-39-67-59(41-47)57-33-37-65-69(71(57)79-67)61-43-55(31-35-63(61)77(65)51-17-9-3-10-18-51)75(49-13-5-1-6-14-49)53-27-21-45(22-28-53)46-23-29-54(30-24-46)76(50-15-7-2-8-16-50)56-32-36-64-62(44-56)70-66(78(64)52-19-11-4-12-20-52)38-34-58-60-42-48(74)26-40-68(60)80-72(58)70/h1-44H.

What are the key properties of 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?

9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine has a molecular weight of 1035.17 g/mol, XLogP of 20.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine is sourced from PubChem (CID 154624011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154624011 — identifiers, structure, computed properties (public domain)

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