9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine

C45H33N — CID 164774413

About 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine

9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine (PubChem CID 164774413) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
• PubChem CID: 164774413
• Molecular Formula: C45H33N
• Molecular Weight: 587.77 g/mol
• Exact Mass: 587.26
• IUPAC Name: 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)ccc21
• InChI: InChI=1S/C45H33N/c1-45(2)41-21-10-9-19-38(41)40-29-35(25-26-42(40)45)46(34-24-22-30-12-3-4-15-33(30)28-34)43-27-23-32-14-6-8-18-37(32)44(43)39-20-11-16-31-13-5-7-17-36(31)39/h3-29H,1-2H3
• InChIKey: OORHVAPRHYWHKU-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.77
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine (CID 164774413) is 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)ccc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?

The InChIKey is OORHVAPRHYWHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-45(2)41-21-10-9-19-38(41)40-29-35(25-26-42(40)45)46(34-24-22-30-12-3-4-15-33(30)28-34)43-27-23-32-14-6-8-18-37(32)44(43)39-20-11-16-31-13-5-7-17-36(31)39/h3-29H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?

9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine has a molecular weight of 587.77 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine is sourced from PubChem (CID 164774413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).