N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C56H36N2O — CID 171739407

About N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739407) has the molecular formula C56H36N2O and a molecular weight of 756.94 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171739407
• Molecular Formula: C56H36N2O
• Molecular Weight: 756.94 g/mol
• Exact Mass: 756.31
• IUPAC Name: N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccccc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C56H36N2O/c1-2-14-41-36-42(25-24-37(41)12-1)38-26-31-43(32-27-38)57(53-22-11-23-54-55(53)49-35-30-39-13-3-4-16-46(39)56(49)59-54)44-33-28-40(29-34-44)45-15-5-8-19-50(45)58-51-20-9-6-17-47(51)48-18-7-10-21-52(48)58/h1-36H/i28D,29D,33D,34D
• InChIKey: ZJAHUTNJJHMAIC-IZFVLKMQSA-N
• XLogP: 15.79
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.94
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739407) is N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccccc1-n1c2ccccc2c2ccccc21.

What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is ZJAHUTNJJHMAIC-IZFVLKMQSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-14-41-36-42(25-24-37(41)12-1)38-26-31-43(32-27-38)57(53-22-11-23-54-55(53)49-35-30-39-13-3-4-16-46(39)56(49)59-54)44-33-28-40(29-34-44)45-15-5-8-19-50(45)58-51-20-9-6-17-47(51)48-18-7-10-21-52(48)58/h1-36H/i28D,29D,33D,34D.

What are the key properties of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 756.94 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).