2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine

C88H60N2O2 — CID 89254527

About 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine

2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 89254527) has the molecular formula C88H60N2O2 and a molecular weight of 1177.46 g/mol. Its IUPAC name is 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine
• PubChem CID: 89254527
• Molecular Formula: C88H60N2O2
• Molecular Weight: 1177.46 g/mol
• Exact Mass: 1176.47
• IUPAC Name: 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccc6ccccc6c5)c5cccc6oc7ccccc7c56)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N(c5ccc6ccccc6c5)c5cccc6oc7ccccc7c56)cc34)cc21
• InChI: InChI=1S/C88H60N2O2/c1-87(2)73-27-13-9-23-63(73)65-43-37-57(49-75(65)87)83-67-45-41-62(90(60-40-36-54-20-6-8-22-56(54)48-60)78-30-18-34-82-86(78)70-26-12-16-32-80(70)92-82)52-72(67)84(58-38-44-66-64-24-10-14-28-74(64)88(3,4)76(66)50-58)68-46-42-61(51-71(68)83)89(59-39-35-53-19-5-7-21-55(53)47-59)77-29-17-33-81-85(77)69-25-11-15-31-79(69)91-81/h5-52H,1-4H3
• InChIKey: ZFELVGROHJMJFJ-UHFFFAOYSA-N
• XLogP: 24.98
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1177.46
LogP ≤ 5	24.98
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-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine?

The IUPAC name of 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine (CID 89254527) is 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccc6ccccc6c5)c5cccc6oc7ccccc7c56)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N(c5ccc6ccccc6c5)c5cccc6oc7ccccc7c56)cc34)cc21.

What is the InChIKey of 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine?

The InChIKey is ZFELVGROHJMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H60N2O2/c1-87(2)73-27-13-9-23-63(73)65-43-37-57(49-75(65)87)83-67-45-41-62(90(60-40-36-54-20-6-8-22-56(54)48-60)78-30-18-34-82-86(78)70-26-12-16-32-80(70)92-82)52-72(67)84(58-38-44-66-64-24-10-14-28-74(64)88(3,4)76(66)50-58)68-46-42-61(51-71(68)83)89(59-39-35-53-19-5-7-21-55(53)47-59)77-29-17-33-81-85(77)69-25-11-15-31-79(69)91-81/h5-52H,1-4H3.

What are the key properties of 2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine?

2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine has a molecular weight of 1177.46 g/mol, XLogP of 24.98, 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-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 89254527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).