3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline

C126H84N4O2 — CID 162242115

About 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline

3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline (PubChem CID 162242115) has the molecular formula C126H84N4O2 and a molecular weight of 1686.08 g/mol. Its IUPAC name is 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline.

Molecular Properties

• Compound Name: 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline
• PubChem CID: 162242115
• Molecular Formula: C126H84N4O2
• Molecular Weight: 1686.08 g/mol
• Exact Mass: 1684.66
• IUPAC Name: 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline
• SMILES: c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc(-c6cccc7c6oc6ccccc67)c5)c4)c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c3)c2)cc1
• InChI: InChI=1S/C66H44N2O.C60H40N2O/c1-4-18-45(19-5-1)48-22-15-28-56(42-48)67(54-24-6-2-7-25-54)57-29-16-23-49(43-57)46-20-14-21-47(38-46)51-39-52(41-53(40-51)58-32-17-33-62-61-31-11-13-35-65(61)69-66(58)62)50-36-37-60-59-30-10-12-34-63(59)68(64(60)44-50)55-26-8-3-9-27-55;1-4-19-49(20-5-1)61(50-21-6-2-7-22-50)52-25-15-18-43(38-52)41-16-14-17-42(34-41)46-35-47(44-31-33-60-56(39-44)55-27-11-13-29-59(55)63-60)37-48(36-46)45-30-32-54-53-26-10-12-28-57(53)62(58(54)40-45)51-23-8-3-9-24-51/h1-44H;1-40H
• InChIKey: ZWVOCWICYFFRPU-UHFFFAOYSA-N
• XLogP: 35.31
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1686.08
LogP ≤ 5	35.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline?

The IUPAC name of 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline (CID 162242115) is 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline.

What is the SMILES notation for 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline?

The canonical SMILES for 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline is c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc(-c6cccc7c6oc6ccccc67)c5)c4)c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c3)c2)cc1.

What is the InChIKey of 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline?

The InChIKey is ZWVOCWICYFFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O.C60H40N2O/c1-4-18-45(19-5-1)48-22-15-28-56(42-48)67(54-24-6-2-7-25-54)57-29-16-23-49(43-57)46-20-14-21-47(38-46)51-39-52(41-53(40-51)58-32-17-33-62-61-31-11-13-35-65(61)69-66(58)62)50-36-37-60-59-30-10-12-34-63(59)68(64(60)44-50)55-26-8-3-9-27-55;1-4-19-49(20-5-1)61(50-21-6-2-7-22-50)52-25-15-18-43(38-52)41-16-14-17-42(34-41)46-35-47(44-31-33-60-56(39-44)55-27-11-13-29-59(55)63-60)37-48(36-46)45-30-32-54-53-26-10-12-28-57(53)62(58(54)40-45)51-23-8-3-9-24-51/h1-44H;1-40H.

What are the key properties of 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline?

3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline has a molecular weight of 1686.08 g/mol, XLogP of 35.31, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 162242115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).