11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C58H39N5 — CID 169297822

About 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 169297822) has the molecular formula C58H39N5 and a molecular weight of 815.04 g/mol. Its IUPAC name is 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 169297822
• Molecular Formula: C58H39N5
• Molecular Weight: 815.04 g/mol
• Exact Mass: 814.38
• IUPAC Name: 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)ccc2-c2c([2H])c([2H])c([2H])c([2H])c2C)c([2H])c1[2H]
• InChI: InChI=1S/C58H39N5/c1-38-17-11-12-24-45(38)46-34-33-44(37-51(46)41-20-7-3-8-21-41)62-52-27-15-13-25-47(52)49-35-36-50-48-26-14-16-28-53(48)63(55(50)54(49)62)58-60-56(42-22-9-4-10-23-42)59-57(61-58)43-31-29-40(30-32-43)39-18-5-2-6-19-39/h2-37H,1H3/i3D,7D,8D,11D,12D,17D,20D,21D,24D
• InChIKey: HSINASQYYWCIRH-OJIVPVEESA-N
• XLogP: 14.71
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.04
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 169297822) is 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is [2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)ccc2-c2c([2H])c([2H])c([2H])c([2H])c2C)c([2H])c1[2H].

What is the InChIKey of 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is HSINASQYYWCIRH-OJIVPVEESA-N. The full InChI is InChI=1S/C58H39N5/c1-38-17-11-12-24-45(38)46-34-33-44(37-51(46)41-20-7-3-8-21-41)62-52-27-15-13-25-47(52)49-35-36-50-48-26-14-16-28-53(48)63(55(50)54(49)62)58-60-56(42-22-9-4-10-23-42)59-57(61-58)43-31-29-40(30-32-43)39-18-5-2-6-19-39/h2-37H,1H3/i3D,7D,8D,11D,12D,17D,20D,21D,24D.

What are the key properties of 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 815.04 g/mol, XLogP of 14.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 169297822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).