5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine

C59H38N4O2 — CID 170247843

About 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine

5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine (PubChem CID 170247843) has the molecular formula C59H38N4O2 and a molecular weight of 834.98 g/mol. Its IUPAC name is 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine.

Molecular Properties

• Compound Name: 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine
• PubChem CID: 170247843
• Molecular Formula: C59H38N4O2
• Molecular Weight: 834.98 g/mol
• Exact Mass: 834.30
• IUPAC Name: 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine
• SMILES: c1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc(-c4ccc5ccccc5c4)nc3c2)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C59H38N4O2/c1-4-18-42(19-5-1)61(45-31-33-57-51(36-45)49-25-13-15-27-56(49)64-57)47-37-52-58(65-59(60-52)41-29-28-39-16-10-11-17-40(39)34-41)55(38-47)62(43-20-6-2-7-21-43)46-30-32-54-50(35-46)48-24-12-14-26-53(48)63(54)44-22-8-3-9-23-44/h1-38H
• InChIKey: VLYRQAVJQYNXHC-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 50.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.98
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine?

The IUPAC name of 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine (CID 170247843) is 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine.

What is the SMILES notation for 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine?

The canonical SMILES for 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine is c1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc(-c4ccc5ccccc5c4)nc3c2)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine?

The InChIKey is VLYRQAVJQYNXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4O2/c1-4-18-42(19-5-1)61(45-31-33-57-51(36-45)49-25-13-15-27-56(49)64-57)47-37-52-58(65-59(60-52)41-29-28-39-16-10-11-17-40(39)34-41)55(38-47)62(43-20-6-2-7-21-43)46-30-32-54-50(35-46)48-24-12-14-26-53(48)63(54)44-22-8-3-9-23-44/h1-38H.

What are the key properties of 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine?

5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine has a molecular weight of 834.98 g/mol, XLogP of 16.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine is sourced from PubChem (CID 170247843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).