3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C55H36N4 — CID 177283369

About 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177283369) has the molecular formula C55H36N4 and a molecular weight of 762.98 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 177283369
• Molecular Formula: C55H36N4
• Molecular Weight: 762.98 g/mol
• Exact Mass: 762.36
• IUPAC Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6cccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c56)c4)n3)cc2)c([2H])c1[2H]
• InChI: InChI=1S/C55H36N4/c1-4-15-37(16-5-1)42-31-34-51-49(36-42)48-25-10-11-28-50(48)59(51)45-32-29-41(30-33-45)54-56-53(40-19-8-3-9-20-40)57-55(58-54)44-24-12-23-43(35-44)47-27-14-22-39-21-13-26-46(52(39)47)38-17-6-2-7-18-38/h1-36H/i1D,2D,4D,5D,6D,7D,15D,16D,17D,18D
• InChIKey: AZRYKLBKDPNYRI-ZSQOHLCXSA-N
• XLogP: 14.12
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.98
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177283369) is 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6cccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c56)c4)n3)cc2)c([2H])c1[2H].

What is the InChIKey of 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is AZRYKLBKDPNYRI-ZSQOHLCXSA-N. The full InChI is InChI=1S/C55H36N4/c1-4-15-37(16-5-1)42-31-34-51-49(36-42)48-25-10-11-28-50(48)59(51)45-32-29-41(30-33-45)54-56-53(40-19-8-3-9-20-40)57-55(58-54)44-24-12-23-43(35-44)47-27-14-22-39-21-13-26-46(52(39)47)38-17-6-2-7-18-38/h1-36H/i1D,2D,4D,5D,6D,7D,15D,16D,17D,18D.

What are the key properties of 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 762.98 g/mol, XLogP of 14.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177283369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).