N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine

C65H46N2O — CID 71126681

About N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine

N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 71126681) has the molecular formula C65H46N2O and a molecular weight of 871.10 g/mol. Its IUPAC name is N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
• PubChem CID: 71126681
• Molecular Formula: C65H46N2O
• Molecular Weight: 871.10 g/mol
• Exact Mass: 870.36
• IUPAC Name: N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C65H46N2O/c1-65(2)59-21-9-7-19-55(59)56-39-37-51(41-60(56)65)66(61-22-11-15-47-13-3-5-17-53(47)61)49-33-29-45(30-34-49)43-25-27-44(28-26-43)46-31-35-50(36-32-46)67(62-23-12-16-48-14-4-6-18-54(48)62)52-38-40-58-57-20-8-10-24-63(57)68-64(58)42-52/h3-42H,1-2H3
• InChIKey: GKROFGCLZSAVHL-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.10
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?

The IUPAC name of N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (CID 71126681) is N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.

What is the SMILES notation for N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?

The canonical SMILES for N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?

The InChIKey is GKROFGCLZSAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2O/c1-65(2)59-21-9-7-19-55(59)56-39-37-51(41-60(56)65)66(61-22-11-15-47-13-3-5-17-53(47)61)49-33-29-45(30-34-49)43-25-27-44(28-26-43)46-31-35-50(36-32-46)67(62-23-12-16-48-14-4-6-18-54(48)62)52-38-40-58-57-20-8-10-24-63(57)68-64(58)42-52/h3-42H,1-2H3.

What are the key properties of N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?

N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine has a molecular weight of 871.10 g/mol, XLogP of 18.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 71126681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).