N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline

C46H40N2 — CID 155421599

About N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline

N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline (PubChem CID 155421599) has the molecular formula C46H40N2 and a molecular weight of 620.84 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline
• PubChem CID: 155421599
• Molecular Formula: C46H40N2
• Molecular Weight: 620.84 g/mol
• Exact Mass: 620.32
• IUPAC Name: N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline
• SMILES: c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C56CC7CC8CC(C5)C87C6)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C46H40N2/c1-4-10-39(11-5-1)47(40-12-6-2-7-13-40)42-22-16-33(17-23-42)34-18-24-43(25-19-34)48(41-14-8-3-9-15-41)44-26-20-35(21-27-44)45-30-37-28-36-29-38(31-45)46(36,37)32-45/h1-27,36-38H,28-32H2
• InChIKey: ZXYQLBRGFCLRCQ-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.84
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline?

The IUPAC name of N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline (CID 155421599) is N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C56CC7CC8CC(C5)C87C6)cc4)cc3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline?

The InChIKey is ZXYQLBRGFCLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2/c1-4-10-39(11-5-1)47(40-12-6-2-7-13-40)42-22-16-33(17-23-42)34-18-24-43(25-19-34)48(41-14-8-3-9-15-41)44-26-20-35(21-27-44)45-30-37-28-36-29-38(31-45)46(36,37)32-45/h1-27,36-38H,28-32H2.

What are the key properties of N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline?

N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline has a molecular weight of 620.84 g/mol, XLogP of 12.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[4-(N-[4-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 155421599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).