2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine

C80H56N2O2 — CID 89254675

About 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine

2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine (PubChem CID 89254675) has the molecular formula C80H56N2O2 and a molecular weight of 1077.34 g/mol. Its IUPAC name is 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
• PubChem CID: 89254675
• Molecular Formula: C80H56N2O2
• Molecular Weight: 1077.34 g/mol
• Exact Mass: 1076.43
• IUPAC Name: 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7c6oc6ccccc67)ccc5c(-c5ccccc5)c4c3)c3cccc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C80H56N2O2/c1-79(2)67-31-15-11-25-55(67)57-41-37-53(47-69(57)79)81(71-33-19-29-63-59-27-13-17-35-73(59)83-77(63)71)51-39-43-61-65(45-51)75(49-21-7-5-8-22-49)62-44-40-52(46-66(62)76(61)50-23-9-6-10-24-50)82(72-34-20-30-64-60-28-14-18-36-74(60)84-78(64)72)54-38-42-58-56-26-12-16-32-68(56)80(3,4)70(58)48-54/h5-48H,1-4H3
• InChIKey: DVLNPDZZUZRUQQ-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.34
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine?

The IUPAC name of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine (CID 89254675) is 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7c6oc6ccccc67)ccc5c(-c5ccccc5)c4c3)c3cccc4c3oc3ccccc34)cc21.

What is the InChIKey of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine?

The InChIKey is DVLNPDZZUZRUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N2O2/c1-79(2)67-31-15-11-25-55(67)57-41-37-53(47-69(57)79)81(71-33-19-29-63-59-27-13-17-35-73(59)83-77(63)71)51-39-43-61-65(45-51)75(49-21-7-5-8-22-49)62-44-40-52(46-66(62)76(61)50-23-9-6-10-24-50)82(72-34-20-30-64-60-28-14-18-36-74(60)84-78(64)72)54-38-42-58-56-26-12-16-32-68(56)80(3,4)70(58)48-54/h5-48H,1-4H3.

What are the key properties of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine?

2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine has a molecular weight of 1077.34 g/mol, XLogP of 22.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89254675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).