N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

C76H54N2 — CID 170112713

About N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 170112713) has the molecular formula C76H54N2 and a molecular weight of 995.28 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
• PubChem CID: 170112713
• Molecular Formula: C76H54N2
• Molecular Weight: 995.28 g/mol
• Exact Mass: 994.43
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc32)c2ccccc21
• InChI: InChI=1S/C76H54N2/c1-75(2)67-33-15-17-35-69(67)76(70-36-18-16-34-68(70)75)66-32-14-10-28-61(66)62-49-42-53(50-71(62)76)51-40-43-54(44-41-51)77(55-45-47-56(48-46-55)78-73-38-20-12-30-64(73)65-31-13-21-39-74(65)78)72-37-19-11-29-63(72)60-27-9-8-26-59(60)58-25-7-6-24-57(58)52-22-4-3-5-23-52/h3-50H,1-2H3
• InChIKey: XKIVQEZIDUXSIV-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.28
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (CID 170112713) is N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc32)c2ccccc21.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

The InChIKey is XKIVQEZIDUXSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N2/c1-75(2)67-33-15-17-35-69(67)76(70-36-18-16-34-68(70)75)66-32-14-10-28-61(66)62-49-42-53(50-71(62)76)51-40-43-54(44-41-51)77(55-45-47-56(48-46-55)78-73-38-20-12-30-64(73)65-31-13-21-39-74(65)78)72-37-19-11-29-63(72)60-27-9-8-26-59(60)58-25-7-6-24-57(58)52-22-4-3-5-23-52/h3-50H,1-2H3.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 995.28 g/mol, XLogP of 19.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170112713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).