9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

C46H49N — CID 170446938

About 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170446938) has the molecular formula C46H49N and a molecular weight of 615.91 g/mol. Its IUPAC name is 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170446938
• Molecular Formula: C46H49N
• Molecular Weight: 615.91 g/mol
• Exact Mass: 615.39
• IUPAC Name: 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
• SMILES: Cc1ccc(-c2cc3c(cc2N(c2ccccc2)c2ccc4c(c2)CCCC4)C(C)(C)c2ccccc2-3)c2c1C(C)(C)CCC2(C)C
• InChI: InChI=1S/C46H49N/c1-30-21-24-36(43-42(30)44(2,3)25-26-45(43,4)5)38-28-37-35-19-13-14-20-39(35)46(6,7)40(37)29-41(38)47(33-17-9-8-10-18-33)34-23-22-31-15-11-12-16-32(31)27-34/h8-10,13-14,17-24,27-29H,11-12,15-16,25-26H2,1-7H3
• InChIKey: KUPGIMUBEDFWJI-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-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170446938) is 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is Cc1ccc(-c2cc3c(cc2N(c2ccccc2)c2ccc4c(c2)CCCC4)C(C)(C)c2ccccc2-3)c2c1C(C)(C)CCC2(C)C.

What is the InChIKey of 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?

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

What are the key properties of 9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?

9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-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-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170446938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).