8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene

C50H32FN3 — CID 118685552

About 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene

8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene (PubChem CID 118685552) has the molecular formula C50H32FN3 and a molecular weight of 693.83 g/mol. Its IUPAC name is 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene.

Molecular Properties

• Compound Name: 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene
• PubChem CID: 118685552
• Molecular Formula: C50H32FN3
• Molecular Weight: 693.83 g/mol
• Exact Mass: 693.26
• IUPAC Name: 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene
• SMILES: Fc1cccc2c3c(n(-c4ccccc4)c12)-c1ccccc1N(c1cccc(-c2cccc(-n4c5ccccc5c5ccccc54)c2)c1)c1ccccc1-3
• InChI: InChI=1S/C50H32FN3/c51-43-26-14-25-42-48-40-23-6-10-29-46(40)53(47-30-11-7-24-41(47)50(48)54(49(42)43)35-17-2-1-3-18-35)37-20-13-16-34(32-37)33-15-12-19-36(31-33)52-44-27-8-4-21-38(44)39-22-5-9-28-45(39)52/h1-32H
• InChIKey: VWQAJVJMPOMUGD-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.83
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene?

The IUPAC name of 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene (CID 118685552) is 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene.

What is the SMILES notation for 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene?

The canonical SMILES for 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene is Fc1cccc2c3c(n(-c4ccccc4)c12)-c1ccccc1N(c1cccc(-c2cccc(-n4c5ccccc5c5ccccc54)c2)c1)c1ccccc1-3.

What is the InChIKey of 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene?

The InChIKey is VWQAJVJMPOMUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32FN3/c51-43-26-14-25-42-48-40-23-6-10-29-46(40)53(47-30-11-7-24-41(47)50(48)54(49(42)43)35-17-2-1-3-18-35)37-20-13-16-34(32-37)33-15-12-19-36(31-33)52-44-27-8-4-21-38(44)39-22-5-9-28-45(39)52/h1-32H.

What are the key properties of 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene?

8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene has a molecular weight of 693.83 g/mol, XLogP of 13.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(3-carbazol-9-ylphenyl)phenyl]-20-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene is sourced from PubChem (CID 118685552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).