14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

C48H36FN5 — CID 140951698

About 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 140951698) has the molecular formula C48H36FN5 and a molecular weight of 701.85 g/mol. Its IUPAC name is 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
• PubChem CID: 140951698
• Molecular Formula: C48H36FN5
• Molecular Weight: 701.85 g/mol
• Exact Mass: 701.30
• IUPAC Name: 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
• SMILES: CC1(C)c2cc3c4ccccc4n(-c4ccccc4)c3cc2N(c2cccc(C(F)C3=CC4c5nccn5-c5ccccc5C4C=C3)c2)c2ncccc21
• InChI: InChI=1S/C48H36FN5/c1-48(2)39-18-11-23-50-47(39)54(44-29-43-37(28-40(44)48)36-17-7-9-20-42(36)53(43)32-13-4-3-5-14-32)33-15-10-12-30(26-33)45(49)31-21-22-34-35-16-6-8-19-41(35)52-25-24-51-46(52)38(34)27-31/h3-29,34,38,45H,1-2H3
• InChIKey: GSOHKCDFTOWACJ-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.85
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

The IUPAC name of 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (CID 140951698) is 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

What is the SMILES notation for 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

The canonical SMILES for 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is CC1(C)c2cc3c4ccccc4n(-c4ccccc4)c3cc2N(c2cccc(C(F)C3=CC4c5nccn5-c5ccccc5C4C=C3)c2)c2ncccc21.

What is the InChIKey of 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

The InChIKey is GSOHKCDFTOWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36FN5/c1-48(2)39-18-11-23-50-47(39)54(44-29-43-37(28-40(44)48)36-17-7-9-20-42(36)53(43)32-13-4-3-5-14-32)33-15-10-12-30(26-33)45(49)31-21-22-34-35-16-6-8-19-41(35)52-25-24-51-46(52)38(34)27-31/h3-29,34,38,45H,1-2H3.

What are the key properties of 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 701.85 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[8b,12a-dihydroimidazo[1,2-f]phenanthridin-11-yl(fluoro)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 140951698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).