2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C63H45N5 — CID 66797829

About 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 66797829) has the molecular formula C63H45N5 and a molecular weight of 872.09 g/mol. Its IUPAC name is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
• PubChem CID: 66797829
• Molecular Formula: C63H45N5
• Molecular Weight: 872.09 g/mol
• Exact Mass: 871.37
• IUPAC Name: 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6c5C(C)(C)c5cc7c(cc5-6)c5ccccc5n7-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C63H45N5/c1-62(2)51-29-16-14-25-43(51)46-34-50-48-33-40(31-32-55(48)67(56(50)36-52(46)62)41-23-12-7-13-24-41)42-27-18-28-45-47-35-49-44-26-15-17-30-54(44)68(57(49)37-53(47)63(3,4)58(42)45)61-65-59(38-19-8-5-9-20-38)64-60(66-61)39-21-10-6-11-22-39/h5-37H,1-4H3
• InChIKey: BOITWBWDPWVYIG-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.09
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

The IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 66797829) is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

What is the SMILES notation for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

The canonical SMILES for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6c5C(C)(C)c5cc7c(cc5-6)c5ccccc5n7-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

The InChIKey is BOITWBWDPWVYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N5/c1-62(2)51-29-16-14-25-43(51)46-34-50-48-33-40(31-32-55(48)67(56(50)36-52(46)62)41-23-12-7-13-24-41)42-27-18-28-45-47-35-49-44-26-15-17-30-54(44)68(57(49)37-53(47)63(3,4)58(42)45)61-65-59(38-19-8-5-9-20-38)64-60(66-61)39-21-10-6-11-22-39/h5-37H,1-4H3.

What are the key properties of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 872.09 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 66797829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).