4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline

C56H47N — CID 118178056

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline (PubChem CID 118178056) has the molecular formula C56H47N and a molecular weight of 734.00 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
• PubChem CID: 118178056
• Molecular Formula: C56H47N
• Molecular Weight: 734.00 g/mol
• Exact Mass: 733.37
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(-c3c4c(c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c5c3CCCC5)CCCC4)cc2)cc1
• InChI: InChI=1S/C56H47N/c1-4-14-40(15-5-1)43-24-26-46(27-25-43)55-51-20-10-12-22-53(51)56(54-23-13-11-21-52(54)55)47-32-38-50(39-33-47)57(48-34-28-44(29-35-48)41-16-6-2-7-17-41)49-36-30-45(31-37-49)42-18-8-3-9-19-42/h1-9,14-19,24-39H,10-13,20-23H2
• InChIKey: YXRAMGPIXRNBID-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.00
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline (CID 118178056) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline.

What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline?

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline is c1ccc(-c2ccc(-c3c4c(c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c5c3CCCC5)CCCC4)cc2)cc1.

What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline?

The InChIKey is YXRAMGPIXRNBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N/c1-4-14-40(15-5-1)43-24-26-46(27-25-43)55-51-20-10-12-22-53(51)56(54-23-13-11-21-52(54)55)47-32-38-50(39-33-47)57(48-34-28-44(29-35-48)41-16-6-2-7-17-41)49-36-30-45(31-37-49)42-18-8-3-9-19-42/h1-9,14-19,24-39H,10-13,20-23H2.

What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline?

4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline has a molecular weight of 734.00 g/mol, XLogP of 15.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline is sourced from PubChem (CID 118178056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).