N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

C65H69N — CID 170448235

About N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170448235) has the molecular formula C65H69N and a molecular weight of 864.27 g/mol. Its IUPAC name is N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170448235
• Molecular Formula: C65H69N
• Molecular Weight: 864.27 g/mol
• Exact Mass: 863.54
• IUPAC Name: N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
• SMILES: Cc1cc2c(cc1N(c1cc3c(cc1C)C(C)(C)CCC3(C)C)c1cc3c(cc1-c1ccc4c(c1)CCCC4)-c1ccccc1C3(c1ccccc1)c1ccccc1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C65H69N/c1-42-35-54-56(63(7,8)33-31-61(54,3)4)40-58(42)66(59-41-57-55(36-43(59)2)62(5,6)32-34-64(57,9)10)60-39-53-51(38-50(60)46-30-29-44-21-17-18-22-45(44)37-46)49-27-19-20-28-52(49)65(53,47-23-13-11-14-24-47)48-25-15-12-16-26-48/h11-16,19-20,23-30,35-41H,17-18,21-22,31-34H2,1-10H3
• InChIKey: YQNVMSMVBSJEEN-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.27
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170448235) is N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

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

The canonical SMILES for N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is Cc1cc2c(cc1N(c1cc3c(cc1C)C(C)(C)CCC3(C)C)c1cc3c(cc1-c1ccc4c(c1)CCCC4)-c1ccccc1C3(c1ccccc1)c1ccccc1)C(C)(C)CCC2(C)C.

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

The InChIKey is YQNVMSMVBSJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H69N/c1-42-35-54-56(63(7,8)33-31-61(54,3)4)40-58(42)66(59-41-57-55(36-43(59)2)62(5,6)32-34-64(57,9)10)60-39-53-51(38-50(60)46-30-29-44-21-17-18-22-45(44)37-46)49-27-19-20-28-52(49)65(53,47-23-13-11-14-24-47)48-25-15-12-16-26-48/h11-16,19-20,23-30,35-41H,17-18,21-22,31-34H2,1-10H3.

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

N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 864.27 g/mol, XLogP of 17.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170448235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).