22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C166H111N15 — CID 159749960

About 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 159749960) has the molecular formula C166H111N15 and a molecular weight of 2315.82 g/mol. Its IUPAC name is 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 159749960
• Molecular Formula: C166H111N15
• Molecular Weight: 2315.82 g/mol
• Exact Mass: 2313.91
• IUPAC Name: 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c3)c3ccccc3-4)cc21.c1ccc(-c2cccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c3)c3ccccc3-4)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5c(n(-c6ccccc6)c6ccccc56)-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C62H43N5.C57H37N5.C47H31N5/c1-62(2)52-31-13-9-27-47(52)48-36-35-46(39-53(48)62)67-55-33-15-11-29-50(55)57-49-28-10-14-32-54(49)66(56-34-16-12-30-51(56)58(57)67)45-26-18-25-44(38-45)61-64-59(41-21-7-4-8-22-41)63-60(65-61)43-24-17-23-42(37-43)40-19-5-3-6-20-40;1-4-17-38(18-5-1)42-23-16-24-45(36-42)62-51-29-14-11-26-48(51)53-47-25-10-13-28-50(47)61(52-30-15-12-27-49(52)54(53)62)46-34-33-39-31-32-43(35-44(39)37-46)57-59-55(40-19-6-2-7-20-40)58-56(60-57)41-21-8-3-9-22-41;1-4-17-32(18-5-1)45-48-46(33-19-6-2-7-20-33)50-47(49-45)34-21-16-24-36(31-34)51-40-28-13-10-25-37(40)43-38-26-11-14-29-41(38)52(35-22-8-3-9-23-35)44(43)39-27-12-15-30-42(39)51/h3-39H,1-2H3;1-37H;1-31H
• InChIKey: NDNKMUVSYBNNCK-UHFFFAOYSA-N
• XLogP: 42.59
• TPSA: 140.52 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.82
LogP ≤ 5	42.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 159749960) is 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c3)c3ccccc3-4)cc21.c1ccc(-c2cccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c3)c3ccccc3-4)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5c(n(-c6ccccc6)c6ccccc56)-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is NDNKMUVSYBNNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N5.C57H37N5.C47H31N5/c1-62(2)52-31-13-9-27-47(52)48-36-35-46(39-53(48)62)67-55-33-15-11-29-50(55)57-49-28-10-14-32-54(49)66(56-34-16-12-30-51(56)58(57)67)45-26-18-25-44(38-45)61-64-59(41-21-7-4-8-22-41)63-60(65-61)43-24-17-23-42(37-43)40-19-5-3-6-20-40;1-4-17-38(18-5-1)42-23-16-24-45(36-42)62-51-29-14-11-26-48(51)53-47-25-10-13-28-50(47)61(52-30-15-12-27-49(52)54(53)62)46-34-33-39-31-32-43(35-44(39)37-46)57-59-55(40-19-6-2-7-20-40)58-56(60-57)41-21-8-3-9-22-41;1-4-17-32(18-5-1)45-48-46(33-19-6-2-7-20-33)50-47(49-45)34-21-16-24-36(31-34)51-40-28-13-10-25-37(40)43-38-26-11-14-29-41(38)52(35-22-8-3-9-23-35)44(43)39-27-12-15-30-42(39)51/h3-39H,1-2H3;1-37H;1-31H.

What are the key properties of 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 2315.82 g/mol, XLogP of 42.59, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 159749960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).