5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine

C58H50N2 — CID 170223504

About 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine

5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine (PubChem CID 170223504) has the molecular formula C58H50N2 and a molecular weight of 775.05 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
• PubChem CID: 170223504
• Molecular Formula: C58H50N2
• Molecular Weight: 775.05 g/mol
• Exact Mass: 774.40
• IUPAC Name: 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4ccccc34)ccc21
• InChI: InChI=1S/C58H50N2/c1-57(2)38-39-58(3,4)54-40-50(36-37-53(54)57)60(56-23-13-17-46-15-9-11-21-52(46)56)49-34-30-44(31-35-49)42-26-24-41(25-27-42)43-28-32-48(33-29-43)59(47-18-6-5-7-19-47)55-22-12-16-45-14-8-10-20-51(45)55/h5-37,40H,38-39H2,1-4H3
• InChIKey: DFJCPLPMJQACLX-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.05
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine (CID 170223504) is 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine.

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

The canonical SMILES for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4ccccc34)ccc21.

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

The InChIKey is DFJCPLPMJQACLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N2/c1-57(2)38-39-58(3,4)54-40-50(36-37-53(54)57)60(56-23-13-17-46-15-9-11-21-52(46)56)49-34-30-44(31-35-49)42-26-24-41(25-27-42)43-28-32-48(33-29-43)59(47-18-6-5-7-19-47)55-22-12-16-45-14-8-10-20-51(45)55/h5-37,40H,38-39H2,1-4H3.

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

5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine has a molecular weight of 775.05 g/mol, XLogP of 16.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 170223504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).