2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline

C64H48N2S — CID 170299234

About 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170299234) has the molecular formula C64H48N2S and a molecular weight of 877.17 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
• PubChem CID: 170299234
• Molecular Formula: C64H48N2S
• Molecular Weight: 877.17 g/mol
• Exact Mass: 876.35
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c4)c32)cc1
• InChI: InChI=1S/C64H48N2S/c1-3-20-43(21-4-1)48-32-16-22-44-23-17-34-54(62(44)48)50-28-7-11-38-58(50)65(59-39-12-9-30-52(59)56-36-19-37-57-53-31-10-14-41-61(53)67-64(56)57)47-27-15-24-45(42-47)49-33-18-35-55-51-29-8-13-40-60(51)66(63(49)55)46-25-5-2-6-26-46/h2,5-19,22-43H,1,3-4,20-21H2
• InChIKey: RLDMBBMWIAGMFR-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.17
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170299234) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.

What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c4)c32)cc1.

What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?

The InChIKey is RLDMBBMWIAGMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2S/c1-3-20-43(21-4-1)48-32-16-22-44-23-17-34-54(62(44)48)50-28-7-11-38-58(50)65(59-39-12-9-30-52(59)56-36-19-37-57-53-31-10-14-41-61(53)67-64(56)57)47-27-15-24-45(42-47)49-33-18-35-55-51-29-8-13-40-60(51)66(63(49)55)46-25-5-2-6-26-46/h2,5-19,22-43H,1,3-4,20-21H2.

What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?

2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 877.17 g/mol, XLogP of 18.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170299234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).