2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C65H39N7 — CID 142607289

About 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 142607289) has the molecular formula C65H39N7 and a molecular weight of 918.08 g/mol. Its IUPAC name is 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

• Compound Name: 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
• PubChem CID: 142607289
• Molecular Formula: C65H39N7
• Molecular Weight: 918.08 g/mol
• Exact Mass: 917.33
• IUPAC Name: 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5nc7ccccc7n5-6)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
• InChI: InChI=1S/C65H39N7/c1-4-18-40(19-5-1)61-67-62(41-20-6-2-7-21-41)69-64(68-61)72-56-34-32-42(36-48(56)50-39-59-49(38-60(50)72)47-26-12-16-30-55(47)70(59)44-22-8-3-9-23-44)43-33-35-57-53(37-43)65(63-66-54-29-15-17-31-58(54)71(57)63)51-27-13-10-24-45(51)46-25-11-14-28-52(46)65/h1-39H
• InChIKey: BRQBKGGTSCFIBM-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.08
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The IUPAC name of 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 142607289) is 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

What is the SMILES notation for 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The canonical SMILES for 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5nc7ccccc7n5-6)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.

What is the InChIKey of 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The InChIKey is BRQBKGGTSCFIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N7/c1-4-18-40(19-5-1)61-67-62(41-20-6-2-7-21-41)69-64(68-61)72-56-34-32-42(36-48(56)50-39-59-49(38-60(50)72)47-26-12-16-30-55(47)70(59)44-22-8-3-9-23-44)43-33-35-57-53(37-43)65(63-66-54-29-15-17-31-58(54)71(57)63)51-27-13-10-24-45(51)46-25-11-14-28-52(46)65/h1-39H.

What are the key properties of 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 918.08 g/mol, XLogP of 15.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 142607289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).