3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine

C65H44N2O — CID 155096638

About 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 155096638) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
• PubChem CID: 155096638
• Molecular Formula: C65H44N2O
• Molecular Weight: 869.08 g/mol
• Exact Mass: 868.35
• IUPAC Name: 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
• SMILES: c1ccc(-c2ccc(N(c3cccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C65H44N2O/c1-3-18-45(19-4-1)46-36-38-50(39-37-46)67(62-34-15-21-47-20-7-8-28-55(47)62)53-27-17-26-52(43-53)66(54-40-41-64-59(44-54)58-31-11-14-35-63(58)68-64)51-25-16-24-49(42-51)65(48-22-5-2-6-23-48)60-32-12-9-29-56(60)57-30-10-13-33-61(57)65/h1-44H
• InChIKey: OLKSTGNWDLKPNF-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.08
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?

The IUPAC name of 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 155096638) is 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3cccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c3)c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?

The InChIKey is OLKSTGNWDLKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O/c1-3-18-45(19-4-1)46-36-38-50(39-37-46)67(62-34-15-21-47-20-7-8-28-55(47)62)53-27-17-26-52(43-53)66(54-40-41-64-59(44-54)58-31-11-14-35-63(58)68-64)51-25-16-24-49(42-51)65(48-22-5-2-6-23-48)60-32-12-9-29-56(60)57-30-10-13-33-61(57)65/h1-44H.

What are the key properties of 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?

3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 869.08 g/mol, XLogP of 17.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 155096638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).