N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine

C68H47NO — CID 135193217

About N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine (PubChem CID 135193217) has the molecular formula C68H47NO and a molecular weight of 894.13 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
• PubChem CID: 135193217
• Molecular Formula: C68H47NO
• Molecular Weight: 894.13 g/mol
• Exact Mass: 893.37
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C68H47NO/c1-67(2)61-42-49(47-29-28-44-16-9-10-17-46(44)40-47)32-37-54(61)55-38-36-53(43-62(55)67)69(52-34-30-45(31-35-52)48-33-39-65-58(41-48)56-22-12-14-27-64(56)70-65)63-26-15-25-60-66(63)57-23-11-13-24-59(57)68(60,50-18-5-3-6-19-50)51-20-7-4-8-21-51/h3-43H,1-2H3
• InChIKey: ODBJIEPNTKHXSG-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.13
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine (CID 135193217) is N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine?

The InChIKey is ODBJIEPNTKHXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NO/c1-67(2)61-42-49(47-29-28-44-16-9-10-17-46(44)40-47)32-37-54(61)55-38-36-53(43-62(55)67)69(52-34-30-45(31-35-52)48-33-39-65-58(41-48)56-22-12-14-27-64(56)70-65)63-26-15-25-60-66(63)57-23-11-13-24-59(57)68(60,50-18-5-3-6-19-50)51-20-7-4-8-21-51/h3-43H,1-2H3.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine?

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine has a molecular weight of 894.13 g/mol, XLogP of 18.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine is sourced from PubChem (CID 135193217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).