4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline

C79H52N2O — CID 164724630

About 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline

4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline (PubChem CID 164724630) has the molecular formula C79H52N2O and a molecular weight of 1045.30 g/mol. Its IUPAC name is 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline
• PubChem CID: 164724630
• Molecular Formula: C79H52N2O
• Molecular Weight: 1045.30 g/mol
• Exact Mass: 1044.41
• IUPAC Name: 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)ccc45)cc3)cc2)cc1
• InChI: InChI=1S/C79H52N2O/c1-4-17-53(18-5-1)54-33-43-63(44-34-54)80(64-45-35-56(36-46-64)58-40-50-76-72(51-58)69-25-12-15-30-75(69)81(76)62-21-8-3-9-22-62)65-47-37-57(38-48-65)66-26-16-27-71-70-49-39-59(52-77(70)82-78(66)71)55-31-41-61(42-32-55)79(60-19-6-2-7-20-60)73-28-13-10-23-67(73)68-24-11-14-29-74(68)79/h1-52H
• InChIKey: BDOMDHQMFBFVIP-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.30
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline?

The IUPAC name of 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline (CID 164724630) is 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline.

What is the SMILES notation for 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline?

The canonical SMILES for 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)ccc45)cc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline?

The InChIKey is BDOMDHQMFBFVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2O/c1-4-17-53(18-5-1)54-33-43-63(44-34-54)80(64-45-35-56(36-46-64)58-40-50-76-72(51-58)69-25-12-15-30-75(69)81(76)62-21-8-3-9-22-62)65-47-37-57(38-48-65)66-26-16-27-71-70-49-39-59(52-77(70)82-78(66)71)55-31-41-61(42-32-55)79(60-19-6-2-7-20-60)73-28-13-10-23-67(73)68-24-11-14-29-74(68)79/h1-52H.

What are the key properties of 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline?

4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline has a molecular weight of 1045.30 g/mol, XLogP of 21.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline is sourced from PubChem (CID 164724630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).