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

C53H61N — CID 170446367

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

9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170446367) has the molecular formula C53H61N and a molecular weight of 712.08 g/mol. Its IUPAC name is 9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170446367
• Molecular Formula: C53H61N
• Molecular Weight: 712.08 g/mol
• Exact Mass: 711.48
• IUPAC Name: 9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C4(C)C)ccc21
• InChI: InChI=1S/C53H61N/c1-49(2)26-28-51(5,6)46-30-35(22-24-43(46)49)54(36-23-25-44-47(31-36)52(7,8)29-27-50(44,3)4)48-33-45-40(39-19-13-14-21-42(39)53(45,9)10)32-41(48)38-20-15-17-34-16-11-12-18-37(34)38/h13-15,17,19-25,30-33H,11-12,16,18,26-29H2,1-10H3
• InChIKey: WJMVPHFKNHKKIW-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.08
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (CID 170446367) is 9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C4(C)C)ccc21.

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

The InChIKey is WJMVPHFKNHKKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H61N/c1-49(2)26-28-51(5,6)46-30-35(22-24-43(46)49)54(36-23-25-44-47(31-36)52(7,8)29-27-50(44,3)4)48-33-45-40(39-19-13-14-21-42(39)53(45,9)10)32-41(48)38-20-15-17-34-16-11-12-18-37(34)38/h13-15,17,19-25,30-33H,11-12,16,18,26-29H2,1-10H3.

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

9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 712.08 g/mol, XLogP of 14.71, 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-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170446367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).