1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C57H37N5 — CID 164847566

About 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 164847566) has the molecular formula C57H37N5 and a molecular weight of 799.00 g/mol. Its IUPAC name is 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 164847566
• Molecular Formula: C57H37N5
• Molecular Weight: 799.00 g/mol
• Exact Mass: 798.35
• IUPAC Name: 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: [2H]c1cc([2H])c2c(c1[2H])c1cc([2H])c3c4c([2H])c([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c1n2-c1cccc(-c2cccc(-c3ccccc3)c2)c1
• InChI: InChI=1S/C57H37N5/c1-4-16-38(17-5-1)40-30-32-42(33-31-40)56-58-55(41-20-8-3-9-21-41)59-57(60-56)62-52-29-13-11-27-48(52)50-35-34-49-47-26-10-12-28-51(47)61(53(49)54(50)62)46-25-15-24-45(37-46)44-23-14-22-43(36-44)39-18-6-2-7-19-39/h1-37H/i10D,11D,26D,27D,28D,29D,35D
• InChIKey: RRRFHZRGBWMSBI-LCXXSTHESA-N
• XLogP: 14.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.00
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 164847566) is 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1cc([2H])c3c4c([2H])c([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c1n2-c1cccc(-c2cccc(-c3ccccc3)c2)c1.

What is the InChIKey of 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is RRRFHZRGBWMSBI-LCXXSTHESA-N. The full InChI is InChI=1S/C57H37N5/c1-4-16-38(17-5-1)40-30-32-42(33-31-40)56-58-55(41-20-8-3-9-21-41)59-57(60-56)62-52-29-13-11-27-48(52)50-35-34-49-47-26-10-12-28-51(47)61(53(49)54(50)62)46-25-15-24-45(37-46)44-23-14-22-43(36-44)39-18-6-2-7-19-39/h1-37H/i10D,11D,26D,27D,28D,29D,35D.

What are the key properties of 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 799.00 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5,7,8,10-heptadeuterio-11-[3-(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).