N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C72H51N3S — CID 58729753

About N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 58729753) has the molecular formula C72H51N3S and a molecular weight of 990.29 g/mol. Its IUPAC name is N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 58729753
• Molecular Formula: C72H51N3S
• Molecular Weight: 990.29 g/mol
• Exact Mass: 989.38
• IUPAC Name: N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)s3)cc2)cc1
• InChI: InChI=1S/C72H51N3S/c1-4-20-60(21-5-1)73(64-46-38-58(39-47-64)71-50-51-72(76-71)59-40-48-66(49-41-59)75(62-24-8-3-9-25-62)70-29-15-19-57-17-11-13-27-68(57)70)63-42-34-54(35-43-63)52-30-32-53(33-31-52)55-36-44-65(45-37-55)74(61-22-6-2-7-23-61)69-28-14-18-56-16-10-12-26-67(56)69/h1-51H
• InChIKey: HBLDLYABBLTMQD-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 9.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.29
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 58729753) is N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)s3)cc2)cc1.

What is the InChIKey of N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is HBLDLYABBLTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N3S/c1-4-20-60(21-5-1)73(64-46-38-58(39-47-64)71-50-51-72(76-71)59-40-48-66(49-41-59)75(62-24-8-3-9-25-62)70-29-15-19-57-17-11-13-27-68(57)70)63-42-34-54(35-43-63)52-30-32-53(33-31-52)55-36-44-65(45-37-55)74(61-22-6-2-7-23-61)69-28-14-18-56-16-10-12-26-67(56)69/h1-51H.

What are the key properties of N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 990.29 g/mol, XLogP of 21.13, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 58729753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).