N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline

C73H47N3 — CID 135166972

About N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline (PubChem CID 135166972) has the molecular formula C73H47N3 and a molecular weight of 966.20 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline
• PubChem CID: 135166972
• Molecular Formula: C73H47N3
• Molecular Weight: 966.20 g/mol
• Exact Mass: 965.38
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1
• InChI: InChI=1S/C73H47N3/c1-2-20-48(21-3-1)54-24-4-5-25-55(54)58-27-7-13-35-67(58)74(51-41-43-52(44-42-51)75-68-36-14-8-28-59(68)60-29-9-15-37-69(60)75)53-23-18-22-49(46-53)50-40-45-57-56-26-6-11-32-63(56)73(66(57)47-50)64-33-12-17-39-71(64)76-70-38-16-10-30-61(70)62-31-19-34-65(73)72(62)76/h1-47H
• InChIKey: ZUVGRRKQUZNXSQ-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.20
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline (CID 135166972) is N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline?

The InChIKey is ZUVGRRKQUZNXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47N3/c1-2-20-48(21-3-1)54-24-4-5-25-55(54)58-27-7-13-35-67(58)74(51-41-43-52(44-42-51)75-68-36-14-8-28-59(68)60-29-9-15-37-69(60)75)53-23-18-22-49(46-53)50-40-45-57-56-26-6-11-32-63(56)73(66(57)47-50)64-33-12-17-39-71(64)76-70-38-16-10-30-61(70)62-31-19-34-65(73)72(62)76/h1-47H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline?

N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline has a molecular weight of 966.20 g/mol, XLogP of 19.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-2-(2-phenylphenyl)-N-(3-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]-2'-ylphenyl)aniline is sourced from PubChem (CID 135166972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).