N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine

C59H42N2O — CID 71126693

About N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine

N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine (PubChem CID 71126693) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
• PubChem CID: 71126693
• Molecular Formula: C59H42N2O
• Molecular Weight: 795.00 g/mol
• Exact Mass: 794.33
• IUPAC Name: N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C59H42N2O/c1-59(2)53-21-9-7-19-49(53)50-35-33-46(38-54(50)59)61(56-23-12-16-42-14-4-6-18-48(42)56)44-31-27-40(28-32-44)39-25-29-43(30-26-39)60(55-22-11-15-41-13-3-5-17-47(41)55)45-34-36-58-52(37-45)51-20-8-10-24-57(51)62-58/h3-38H,1-2H3
• InChIKey: BYMCRNMYCFHGDZ-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.00
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?

The IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine (CID 71126693) is N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine.

What is the SMILES notation for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?

The canonical SMILES for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?

The InChIKey is BYMCRNMYCFHGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-59(2)53-21-9-7-19-49(53)50-35-33-46(38-54(50)59)61(56-23-12-16-42-14-4-6-18-48(42)56)44-31-27-40(28-32-44)39-25-29-43(30-26-39)60(55-22-11-15-41-13-3-5-17-47(41)55)45-34-36-58-52(37-45)51-20-8-10-24-57(51)62-58/h3-38H,1-2H3.

What are the key properties of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?

N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine has a molecular weight of 795.00 g/mol, XLogP of 16.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine is sourced from PubChem (CID 71126693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).