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

C62H43N5 — CID 129254682

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

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 (PubChem CID 129254682) has the molecular formula C62H43N5 and a molecular weight of 858.06 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.

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
• PubChem CID: 129254682
• Molecular Formula: C62H43N5
• Molecular Weight: 858.06 g/mol
• Exact Mass: 857.35
• 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
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c3)c3ccccc3-4)cc21
• InChI: InChI=1S/C62H43N5/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/h3-39H,1-2H3
• InChIKey: ZPASFUFOAIPWKU-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.06
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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?

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 (CID 129254682) 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.

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?

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 is CC1(C)c2ccccc2-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c3)c3ccccc3-4)cc21.

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?

The InChIKey is ZPASFUFOAIPWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N5/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/h3-39H,1-2H3.

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?

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 has a molecular weight of 858.06 g/mol, XLogP of 15.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 129254682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).