N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline

C79H51N3 — CID 135167186

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline (PubChem CID 135167186) has the molecular formula C79H51N3 and a molecular weight of 1042.30 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline
• PubChem CID: 135167186
• Molecular Formula: C79H51N3
• Molecular Weight: 1042.30 g/mol
• Exact Mass: 1041.41
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline
• SMILES: c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)c2)cc1
• InChI: InChI=1S/C79H51N3/c1-2-19-52(20-3-1)56-21-16-22-57(51-56)61-23-5-11-34-72(61)80(58-45-39-53(40-46-58)54-41-47-60(48-42-54)81-73-35-12-6-24-63(73)64-25-7-13-36-74(64)81)59-49-43-55(44-50-59)62-28-17-32-70-77(62)67-27-4-9-30-68(67)79(70)69-31-10-15-38-76(69)82-75-37-14-8-26-65(75)66-29-18-33-71(79)78(66)82/h1-51H
• InChIKey: VDDATQWOMMKJDY-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.30
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline (CID 135167186) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline is c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)c2)cc1.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline?

The InChIKey is VDDATQWOMMKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H51N3/c1-2-19-52(20-3-1)56-21-16-22-57(51-56)61-23-5-11-34-72(61)80(58-45-39-53(40-46-58)54-41-47-60(48-42-54)81-73-35-12-6-24-63(73)64-25-7-13-36-74(64)81)59-49-43-55(44-50-59)62-28-17-32-70-77(62)67-27-4-9-30-68(67)79(70)69-31-10-15-38-76(69)82-75-37-14-8-26-65(75)66-29-18-33-71(79)78(66)82/h1-51H.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline has a molecular weight of 1042.30 g/mol, XLogP of 20.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline is sourced from PubChem (CID 135167186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).