9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine

C63H46N2 — CID 59221488

About 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine (PubChem CID 59221488) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
• PubChem CID: 59221488
• Molecular Formula: C63H46N2
• Molecular Weight: 831.08 g/mol
• Exact Mass: 830.37
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4)c4ccccc34)cc21
• InChI: InChI=1S/C63H46N2/c1-63(2)59-25-13-12-23-56(59)57-38-37-52(42-60(57)63)65(61-26-14-20-46-18-8-9-21-54(46)61)62-40-39-53(55-22-10-11-24-58(55)62)47-30-34-50(35-31-47)64(51-36-29-44-17-6-7-19-48(44)41-51)49-32-27-45(28-33-49)43-15-4-3-5-16-43/h3-42H,1-2H3
• InChIKey: IMWZLVJEHQCELH-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.08
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine (CID 59221488) is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4)c4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?

The InChIKey is IMWZLVJEHQCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)59-25-13-12-23-56(59)57-38-37-52(42-60(57)63)65(61-26-14-20-46-18-8-9-21-54(46)61)62-40-39-53(55-22-10-11-24-58(55)62)47-30-34-50(35-31-47)64(51-36-29-44-17-6-7-19-48(44)41-51)49-32-27-45(28-33-49)43-15-4-3-5-16-43/h3-42H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine has a molecular weight of 831.08 g/mol, XLogP of 17.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine is sourced from PubChem (CID 59221488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).