1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine

C60H43NO — CID 177294550

About 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine

1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine (PubChem CID 177294550) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine.

Molecular Properties

• Compound Name: 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
• PubChem CID: 177294550
• Molecular Formula: C60H43NO
• Molecular Weight: 794.01 g/mol
• Exact Mass: 793.33
• IUPAC Name: 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3-c3ccc4oc5ccccc5c4c3)cc21
• InChI: InChI=1S/C60H43NO/c1-59(2)50-22-12-9-18-42(50)44-28-26-37(34-52(44)59)61(38-27-29-45-43-19-10-13-23-51(43)60(3,4)53(45)35-38)54-31-30-48-41-17-6-5-15-39(41)40-16-7-8-21-47(40)58(48)57(54)36-25-32-56-49(33-36)46-20-11-14-24-55(46)62-56/h5-35H,1-4H3
• InChIKey: NTRKBQPIDYYFGI-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.01
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine?

The IUPAC name of 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine (CID 177294550) is 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine.

What is the SMILES notation for 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine?

The canonical SMILES for 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3-c3ccc4oc5ccccc5c4c3)cc21.

What is the InChIKey of 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine?

The InChIKey is NTRKBQPIDYYFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-59(2)50-22-12-9-18-42(50)44-28-26-37(34-52(44)59)61(38-27-29-45-43-19-10-13-23-51(43)60(3,4)53(45)35-38)54-31-30-48-41-17-6-5-15-39(41)40-16-7-8-21-47(40)58(48)57(54)36-25-32-56-49(33-36)46-20-11-14-24-55(46)62-56/h5-35H,1-4H3.

What are the key properties of 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine?

1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine has a molecular weight of 794.01 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine is sourced from PubChem (CID 177294550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).