N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline

C73H48N2O — CID 170112840

About N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline

N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline (PubChem CID 170112840) has the molecular formula C73H48N2O and a molecular weight of 969.20 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
• PubChem CID: 170112840
• Molecular Formula: C73H48N2O
• Molecular Weight: 969.20 g/mol
• Exact Mass: 968.38
• IUPAC Name: N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C73H48N2O/c1-2-22-50(23-3-1)53-24-4-5-25-54(53)55-26-6-7-27-56(55)59-29-9-15-35-66(59)74(69-38-18-19-39-70(69)75-67-36-16-10-30-60(67)61-31-11-17-37-68(61)75)52-45-42-49(43-46-52)51-44-47-58-57-28-8-12-32-62(57)73(65(58)48-51)63-33-13-20-40-71(63)76-72-41-21-14-34-64(72)73/h1-48H
• InChIKey: RQNJIPROJQMMIP-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.20
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline (CID 170112840) is N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline.

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

The canonical SMILES for N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline?

The InChIKey is RQNJIPROJQMMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2O/c1-2-22-50(23-3-1)53-24-4-5-25-54(53)55-26-6-7-27-56(55)59-29-9-15-35-66(59)74(69-38-18-19-39-70(69)75-67-36-16-10-30-60(67)61-31-11-17-37-68(61)75)52-45-42-49(43-46-52)51-44-47-58-57-28-8-12-32-62(57)73(65(58)48-51)63-33-13-20-40-71(63)76-72-41-21-14-34-64(72)73/h1-48H.

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

N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline has a molecular weight of 969.20 g/mol, XLogP of 19.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline is sourced from PubChem (CID 170112840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).