9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine

C48H53N — CID 170446596

About 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine

9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine (PubChem CID 170446596) has the molecular formula C48H53N and a molecular weight of 643.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
• PubChem CID: 170446596
• Molecular Formula: C48H53N
• Molecular Weight: 643.96 g/mol
• Exact Mass: 643.42
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
• SMILES: CC(C)c1ccc2c(c1N(c1ccccc1)c1cc3c(cc1-c1cccc4c1C(C)(C)CCC4(C)C)-c1ccccc1C3(C)C)CCCC2
• InChI: InChI=1S/C48H53N/c1-31(2)34-26-25-32-17-12-13-20-35(32)45(34)49(33-18-10-9-11-19-33)43-30-42-38(36-21-14-15-23-40(36)48(42,7)8)29-39(43)37-22-16-24-41-44(37)47(5,6)28-27-46(41,3)4/h9-11,14-16,18-19,21-26,29-31H,12-13,17,20,27-28H2,1-8H3
• InChIKey: WUNUCQKRORXGKN-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.96
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine (CID 170446596) is 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is CC(C)c1ccc2c(c1N(c1ccccc1)c1cc3c(cc1-c1cccc4c1C(C)(C)CCC4(C)C)-c1ccccc1C3(C)C)CCCC2.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

The InChIKey is WUNUCQKRORXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53N/c1-31(2)34-26-25-32-17-12-13-20-35(32)45(34)49(33-18-10-9-11-19-33)43-30-42-38(36-21-14-15-23-40(36)48(42,7)8)29-39(43)37-22-16-24-41-44(37)47(5,6)28-27-46(41,3)4/h9-11,14-16,18-19,21-26,29-31H,12-13,17,20,27-28H2,1-8H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine has a molecular weight of 643.96 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170446596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).