5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole

C58H45N5 — CID 167268433

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole (PubChem CID 167268433) has the molecular formula C58H45N5 and a molecular weight of 812.03 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole
• PubChem CID: 167268433
• Molecular Formula: C58H45N5
• Molecular Weight: 812.03 g/mol
• Exact Mass: 811.37
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole
• SMILES: CC1(C)CC(C)(C)c2cc(-c3ccccc3-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6cc54)cc3)ccc21
• InChI: InChI=1S/C58H45N5/c1-57(2)36-58(3,4)49-33-40(29-32-48(49)57)43-22-12-11-21-42(43)37-27-30-41(31-28-37)62-50-25-15-13-23-44(50)46-34-47-45-24-14-16-26-51(45)63(53(47)35-52(46)62)56-60-54(38-17-7-5-8-18-38)59-55(61-56)39-19-9-6-10-20-39/h5-35H,36H2,1-4H3
• InChIKey: WJJIFSOHQVWMNK-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.03
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole (CID 167268433) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole is CC1(C)CC(C)(C)c2cc(-c3ccccc3-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6cc54)cc3)ccc21.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole?

The InChIKey is WJJIFSOHQVWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N5/c1-57(2)36-58(3,4)49-33-40(29-32-48(49)57)43-22-12-11-21-42(43)37-27-30-41(31-28-37)62-50-25-15-13-23-44(50)46-34-47-45-24-14-16-26-51(45)63(53(47)35-52(46)62)56-60-54(38-17-7-5-8-18-38)59-55(61-56)39-19-9-6-10-20-39/h5-35H,36H2,1-4H3.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole has a molecular weight of 812.03 g/mol, XLogP of 14.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 167268433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).