2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C64H44N2O — CID 170298421

About 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170298421) has the molecular formula C64H44N2O and a molecular weight of 857.07 g/mol. Its IUPAC name is 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• PubChem CID: 170298421
• Molecular Formula: C64H44N2O
• Molecular Weight: 857.07 g/mol
• Exact Mass: 856.35
• IUPAC Name: 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• SMILES: C1=CC2Oc3ccccc3C2C=C1c1ccccc1N(c1ccccc1-c1cccc2cccc(-c3ccccc3)c12)c1ccccc1-c1cccc2c1c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C64H44N2O/c1-3-20-43(21-4-1)48-31-17-22-44-23-18-32-52(63(44)48)49-27-8-13-35-57(49)66(56-34-12-7-26-47(56)45-40-41-62-55(42-45)51-29-11-16-39-61(51)67-62)58-36-14-9-28-50(58)53-33-19-38-60-64(53)54-30-10-15-37-59(54)65(60)46-24-5-2-6-25-46/h1-42,55,62H
• InChIKey: HSEXQYTVMWVBSI-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.07
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The IUPAC name of 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170298421) is 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

What is the SMILES notation for 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The canonical SMILES for 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is C1=CC2Oc3ccccc3C2C=C1c1ccccc1N(c1ccccc1-c1cccc2cccc(-c3ccccc3)c12)c1ccccc1-c1cccc2c1c1ccccc1n2-c1ccccc1.

What is the InChIKey of 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The InChIKey is HSEXQYTVMWVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O/c1-3-20-43(21-4-1)48-31-17-22-44-23-18-32-52(63(44)48)49-27-8-13-35-57(49)66(56-34-12-7-26-47(56)45-40-41-62-55(42-45)51-29-11-16-39-61(51)67-62)58-36-14-9-28-50(58)53-33-19-38-60-64(53)54-30-10-15-37-59(54)65(60)46-24-5-2-6-25-46/h1-42,55,62H.

What are the key properties of 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 857.07 g/mol, XLogP of 16.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170298421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).