2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine

C62H47N3 — CID 144844648

About 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine

2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine (PubChem CID 144844648) has the molecular formula C62H47N3 and a molecular weight of 834.08 g/mol. Its IUPAC name is 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
• PubChem CID: 144844648
• Molecular Formula: C62H47N3
• Molecular Weight: 834.08 g/mol
• Exact Mass: 833.38
• IUPAC Name: 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
• SMILES: C=CC1=C(C=C)C(C)(C)c2cc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)ccc21
• InChI: InChI=1S/C62H47N3/c1-7-44-47-31-27-39(35-53(47)60(3,4)50(44)8-2)57-63-58(40-29-33-49-54(36-40)61(5,6)52-34-30-38-19-15-16-24-45(38)56(49)52)65-59(64-57)41-28-32-48-46-25-17-18-26-51(46)62(55(48)37-41,42-20-11-9-12-21-42)43-22-13-10-14-23-43/h7-37H,1-2H2,3-6H3
• InChIKey: MTAFQYPJRPGARJ-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.08
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?

The IUPAC name of 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine (CID 144844648) is 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?

The canonical SMILES for 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine is C=CC1=C(C=C)C(C)(C)c2cc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)ccc21.

What is the InChIKey of 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?

The InChIKey is MTAFQYPJRPGARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N3/c1-7-44-47-31-27-39(35-53(47)60(3,4)50(44)8-2)57-63-58(40-29-33-49-54(36-40)61(5,6)52-34-30-38-19-15-16-24-45(38)56(49)52)65-59(64-57)41-28-32-48-46-25-17-18-26-51(46)62(55(48)37-41,42-20-11-9-12-21-42)43-22-13-10-14-23-43/h7-37H,1-2H2,3-6H3.

What are the key properties of 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?

2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 834.08 g/mol, XLogP of 15.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 144844648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).