N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline

C72H54N2 — CID 170112827

About N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline

N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 170112827) has the molecular formula C72H54N2 and a molecular weight of 947.24 g/mol. Its IUPAC name is N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline
• PubChem CID: 170112827
• Molecular Formula: C72H54N2
• Molecular Weight: 947.24 g/mol
• Exact Mass: 946.43
• IUPAC Name: N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
• InChI: InChI=1S/C72H54N2/c1-4-22-51(23-5-1)57-28-8-9-29-59(57)60-30-10-11-31-61(60)64-33-13-16-38-69(64)73(55-43-40-50(41-44-55)52-42-45-63-62-32-12-15-37-67(62)72(68(63)49-52)46-18-3-19-47-72)56-27-20-24-53(48-56)58-35-21-36-66-65-34-14-17-39-70(65)74(71(58)66)54-25-6-2-7-26-54/h1-2,4-17,20-45,48-49H,3,18-19,46-47H2
• InChIKey: FZMSUKAUNRWGNB-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.24
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline?

The IUPAC name of N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline (CID 170112827) is N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline.

What is the SMILES notation for N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline?

The canonical SMILES for N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.

What is the InChIKey of N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline?

The InChIKey is FZMSUKAUNRWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N2/c1-4-22-51(23-5-1)57-28-8-9-29-59(57)60-30-10-11-31-61(60)64-33-13-16-38-69(64)73(55-43-40-50(41-44-55)52-42-45-63-62-32-12-15-37-67(62)72(68(63)49-52)46-18-3-19-47-72)56-27-20-24-53(48-56)58-35-21-36-66-65-34-14-17-39-70(65)74(71(58)66)54-25-6-2-7-26-54/h1-2,4-17,20-45,48-49H,3,18-19,46-47H2.

What are the key properties of N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline?

N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 947.24 g/mol, XLogP of 19.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 170112827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).