N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine

C66H45N7 — CID 126609070

About N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine

N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine (PubChem CID 126609070) has the molecular formula C66H45N7 and a molecular weight of 936.14 g/mol. Its IUPAC name is N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine.

Molecular Properties

• Compound Name: N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine
• PubChem CID: 126609070
• Molecular Formula: C66H45N7
• Molecular Weight: 936.14 g/mol
• Exact Mass: 935.37
• IUPAC Name: N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine
• SMILES: c1ccc(-c2cc(Nc3cccc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)n4-c4ccccc4)c3-c3ccccc3)nc(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C66H45N7/c1-7-22-45(23-8-1)51-41-58(47-26-11-3-12-27-47)68-62(43-51)67-57-36-21-35-55(64(57)49-30-15-5-16-31-49)66-71-70-65(72(66)53-32-17-6-18-33-53)50-38-39-61-56(40-50)54-34-19-20-37-60(54)73(61)63-44-52(46-24-9-2-10-25-46)42-59(69-63)48-28-13-4-14-29-48/h1-44H,(H,67,68)
• InChIKey: FUKYELIRSNDOEA-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.14
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine?

The IUPAC name of N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine (CID 126609070) is N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine.

What is the SMILES notation for N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine?

The canonical SMILES for N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine is c1ccc(-c2cc(Nc3cccc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)n4-c4ccccc4)c3-c3ccccc3)nc(-c3ccccc3)c2)cc1.

What is the InChIKey of N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine?

The InChIKey is FUKYELIRSNDOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N7/c1-7-22-45(23-8-1)51-41-58(47-26-11-3-12-27-47)68-62(43-51)67-57-36-21-35-55(64(57)49-30-15-5-16-31-49)66-71-70-65(72(66)53-32-17-6-18-33-53)50-38-39-61-56(40-50)54-34-19-20-37-60(54)73(61)63-44-52(46-24-9-2-10-25-46)42-59(69-63)48-28-13-4-14-29-48/h1-44H,(H,67,68).

What are the key properties of N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine?

N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine has a molecular weight of 936.14 g/mol, XLogP of 16.57, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine is sourced from PubChem (CID 126609070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).