18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene

C51H32N4O2 — CID 177086329

About 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene

18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene (PubChem CID 177086329) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
• PubChem CID: 177086329
• Molecular Formula: C51H32N4O2
• Molecular Weight: 732.84 g/mol
• Exact Mass: 732.25
• IUPAC Name: 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5c4)nc(-c4cccc5ccccc45)n3)cc21
• InChI: InChI=1S/C51H32N4O2/c1-51(2)39-18-9-8-16-35(39)36-23-21-33(28-40(36)51)48-53-47(54-49(55-48)37-17-10-14-29-11-6-7-15-34(29)37)32-20-19-30-22-25-42-44(38(30)27-32)45-43(56-42)26-24-41-46(45)57-50(52-41)31-12-4-3-5-13-31/h3-28H,1-2H3
• InChIKey: OMDSOXBYUAJENV-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.84
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

The IUPAC name of 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene (CID 177086329) is 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene.

What is the SMILES notation for 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

The canonical SMILES for 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5c4)nc(-c4cccc5ccccc45)n3)cc21.

What is the InChIKey of 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

The InChIKey is OMDSOXBYUAJENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-51(2)39-18-9-8-16-35(39)36-23-21-33(28-40(36)51)48-53-47(54-49(55-48)37-17-10-14-29-11-6-7-15-34(29)37)32-20-19-30-22-25-42-44(38(30)27-32)45-43(56-42)26-24-41-46(45)57-50(52-41)31-12-4-3-5-13-31/h3-28H,1-2H3.

What are the key properties of 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene has a molecular weight of 732.84 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene is sourced from PubChem (CID 177086329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).