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

C46H49N — CID 170446758

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

9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170446758) has the molecular formula C46H49N and a molecular weight of 615.91 g/mol. Its IUPAC name is 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170446758
• Molecular Formula: C46H49N
• Molecular Weight: 615.91 g/mol
• Exact Mass: 615.39
• IUPAC Name: 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• SMILES: Cc1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)CCC4(C)C)C(C)(C)c1ccccc1-3)CCCC2
• InChI: InChI=1S/C46H49N/c1-30-25-31-15-11-12-16-32(31)26-36(30)38-28-37-35-19-13-14-20-39(35)46(6,7)41(37)29-43(38)47(33-17-9-8-10-18-33)34-21-22-40-42(27-34)45(4,5)24-23-44(40,2)3/h8-10,13-14,17-22,25-29H,11-12,15-16,23-24H2,1-7H3
• InChIKey: DKNIYPOODRZAGT-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.91
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (CID 170446758) is 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is Cc1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)CCC4(C)C)C(C)(C)c1ccccc1-3)CCCC2.

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

The InChIKey is DKNIYPOODRZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49N/c1-30-25-31-15-11-12-16-32(31)26-36(30)38-28-37-35-19-13-14-20-39(35)46(6,7)41(37)29-43(38)47(33-17-9-8-10-18-33)34-21-22-40-42(27-34)45(4,5)24-23-44(40,2)3/h8-10,13-14,17-22,25-29H,11-12,15-16,23-24H2,1-7H3.

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

9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 615.91 g/mol, XLogP of 12.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170446758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).