4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

C72H56N2 — CID 155377469

About 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 155377469) has the molecular formula C72H56N2 and a molecular weight of 949.25 g/mol. Its IUPAC name is 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
• PubChem CID: 155377469
• Molecular Formula: C72H56N2
• Molecular Weight: 949.25 g/mol
• Exact Mass: 948.44
• IUPAC Name: 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
• SMILES: Cc1ccc(N(c2ccc(CCc3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
• InChI: InChI=1S/C72H56N2/c1-51-14-38-65(39-15-51)73(69-46-34-58(35-47-69)56-24-26-60(27-25-56)64-33-30-55-8-3-4-10-63(55)50-64)67-42-20-53(21-43-67)18-19-54-22-44-68(45-23-54)74(66-40-16-52(2)17-41-66)70-48-36-59(37-49-70)57-28-31-62(32-29-57)72-13-7-11-61-9-5-6-12-71(61)72/h3-17,20-50H,18-19H2,1-2H3
• InChIKey: LCLCFXUVIFPAQZ-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.25
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

The IUPAC name of 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 155377469) is 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

What is the SMILES notation for 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

The canonical SMILES for 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is Cc1ccc(N(c2ccc(CCc3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.

What is the InChIKey of 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

The InChIKey is LCLCFXUVIFPAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2/c1-51-14-38-65(39-15-51)73(69-46-34-58(35-47-69)56-24-26-60(27-25-56)64-33-30-55-8-3-4-10-63(55)50-64)67-42-20-53(21-43-67)18-19-54-22-44-68(45-23-54)74(66-40-16-52(2)17-41-66)70-48-36-59(37-49-70)57-28-31-62(32-29-57)72-13-7-11-61-9-5-6-12-71(61)72/h3-17,20-50H,18-19H2,1-2H3.

What are the key properties of 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 949.25 g/mol, XLogP of 20.00, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 155377469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).