6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine

C60H53F3N2Si2 — CID 59222050

About 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine

6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 59222050) has the molecular formula C60H53F3N2Si2 and a molecular weight of 925.33 g/mol. Its IUPAC name is 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
• PubChem CID: 59222050
• Molecular Formula: C60H53F3N2Si2
• Molecular Weight: 925.33 g/mol
• Exact Mass: 924.43
• IUPAC Name: 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c(N(c6ccc([Si](C)(C)C)cc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H]
• InChI: InChI=1S/C60H53F3N2Si2/c1-40-38-45(41-14-10-8-11-15-41)22-34-54(40)64(47-24-28-49(29-25-47)66(2,3)4)55-35-20-43-19-33-52-56(36-21-44-18-32-51(55)58(43)59(44)52)65(48-26-30-50(31-27-48)67(5,6)7)57-37-23-46(39-53(57)60(61,62)63)42-16-12-9-13-17-42/h8-39H,1-7H3/i8D,9D,10D,11D,12D,13D,14D,15D,16D,17D
• InChIKey: XHOYOTAGXZYNGA-YHMRABKBSA-N
• XLogP: 17.28
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.33
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

The IUPAC name of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (CID 59222050) is 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.

What is the SMILES notation for 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

The canonical SMILES for 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c(N(c6ccc([Si](C)(C)C)cc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H].

What is the InChIKey of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

The InChIKey is XHOYOTAGXZYNGA-YHMRABKBSA-N. The full InChI is InChI=1S/C60H53F3N2Si2/c1-40-38-45(41-14-10-8-11-15-41)22-34-54(40)64(47-24-28-49(29-25-47)66(2,3)4)55-35-20-43-19-33-52-56(36-21-44-18-32-51(55)58(43)59(44)52)65(48-26-30-50(31-27-48)67(5,6)7)57-37-23-46(39-53(57)60(61,62)63)42-16-12-9-13-17-42/h8-39H,1-7H3/i8D,9D,10D,11D,12D,13D,14D,15D,16D,17D.

What are the key properties of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 925.33 g/mol, XLogP of 17.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 59222050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).