N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine

C67H55N — CID 170447239

About N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine

N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 170447239) has the molecular formula C67H55N and a molecular weight of 874.18 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
• PubChem CID: 170447239
• Molecular Formula: C67H55N
• Molecular Weight: 874.18 g/mol
• Exact Mass: 873.43
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc(-c6cccc7ccccc67)cc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)ccc21
• InChI: InChI=1S/C67H55N/c1-65(2)41-42-66(3,4)63-43-50(37-40-61(63)65)46-31-33-49(34-32-46)58-44-59-57-28-16-17-30-60(57)67(51-21-8-5-9-22-51,52-23-10-6-11-24-52)62(59)45-64(58)68(53-25-12-7-13-26-53)54-38-35-48(36-39-54)56-29-18-20-47-19-14-15-27-55(47)56/h5-40,43-45H,41-42H2,1-4H3
• InChIKey: UIBBDKWREKPBFD-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.18
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine (CID 170447239) is N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine is CC1(C)CCC(C)(C)c2cc(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc(-c6cccc7ccccc67)cc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)ccc21.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?

The InChIKey is UIBBDKWREKPBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55N/c1-65(2)41-42-66(3,4)63-43-50(37-40-61(63)65)46-31-33-49(34-32-46)58-44-59-57-28-16-17-30-60(57)67(51-21-8-5-9-22-51,52-23-10-6-11-24-52)62(59)45-64(58)68(53-25-12-7-13-26-53)54-38-35-48(36-39-54)56-29-18-20-47-19-14-15-27-55(47)56/h5-40,43-45H,41-42H2,1-4H3.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?

N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 874.18 g/mol, XLogP of 18.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170447239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).