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

C46H49N — CID 170446540

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

9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine (PubChem CID 170446540) has the molecular formula C46H49N and a molecular weight of 615.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
• PubChem CID: 170446540
• Molecular Formula: C46H49N
• Molecular Weight: 615.91 g/mol
• Exact Mass: 615.39
• IUPAC Name: 9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
• SMILES: Cc1cc2c(cc1N(c1ccccc1)c1cc3c(cc1-c1cccc4c1CCCC4)-c1ccccc1C3(C)C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C46H49N/c1-30-26-40-41(45(4,5)25-24-44(40,2)3)29-42(30)47(32-18-9-8-10-19-32)43-28-39-36(35-21-13-14-23-38(35)46(39,6)7)27-37(43)34-22-15-17-31-16-11-12-20-33(31)34/h8-10,13-15,17-19,21-23,26-29H,11-12,16,20,24-25H2,1-7H3
• InChIKey: JPEJQYDHKKIZGJ-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-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine (CID 170446540) is 9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine is Cc1cc2c(cc1N(c1ccccc1)c1cc3c(cc1-c1cccc4c1CCCC4)-c1ccccc1C3(C)C)C(C)(C)CCC2(C)C.

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

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

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

9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-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-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170446540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).