8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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 118685529

About 8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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 118685529) has the molecular formula C50H32FN3 and a molecular weight of 693.83 g/mol. Its IUPAC name is 8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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: 118685529
• Molecular Formula: C50H32FN3
• Molecular Weight: 693.83 g/mol
• Exact Mass: 693.26
• IUPAC Name: 8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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: Fc1cccc2c1c1c(n2-c2ccccc2)-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-1
• InChI: InChI=1S/C50H32FN3/c51-42-19-12-24-47-49(42)48-40-17-6-10-22-45(40)53(46-23-11-7-18-41(46)50(48)54(47)35-13-2-1-3-14-35)37-31-27-34(28-32-37)33-25-29-36(30-26-33)52-43-20-8-4-15-38(43)39-16-5-9-21-44(39)52/h1-32H
• InChIKey: DCYBHMWKFSJFDL-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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 118685529) is 8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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 Fc1cccc2c1c1c(n2-c2ccccc2)-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-1.

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

What are the key properties of 8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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-[4-(4-carbazol-9-ylphenyl)phenyl]-17-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 118685529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).