N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C73H46N2O — CID 168805131

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168805131) has the molecular formula C73H46N2O and a molecular weight of 967.18 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 168805131
• Molecular Formula: C73H46N2O
• Molecular Weight: 967.18 g/mol
• Exact Mass: 966.36
• IUPAC Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc23)cc1
• InChI: InChI=1S/C73H46N2O/c1-2-16-49(17-3-1)56-25-15-26-63-64-45-51(36-43-71(64)76-72(56)63)48-34-39-53(40-35-48)74(52-37-32-47(33-38-52)50-18-14-19-54(44-50)75-69-30-12-7-23-61(69)62-24-8-13-31-70(62)75)55-41-42-60-59-22-6-11-29-67(59)73(68(60)46-55)65-27-9-4-20-57(65)58-21-5-10-28-66(58)73/h1-46H
• InChIKey: GLKQFYVVJJGKQC-UHFFFAOYSA-N
• XLogP: 19.50
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.18
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 168805131) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc23)cc1.

What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is GLKQFYVVJJGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2O/c1-2-16-49(17-3-1)56-25-15-26-63-64-45-51(36-43-71(64)76-72(56)63)48-34-39-53(40-35-48)74(52-37-32-47(33-38-52)50-18-14-19-54(44-50)75-69-30-12-7-23-61(69)62-24-8-13-31-70(62)75)55-41-42-60-59-22-6-11-29-67(59)73(68(60)46-55)65-27-9-4-20-57(65)58-21-5-10-28-66(58)73/h1-46H.

What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 967.18 g/mol, XLogP of 19.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168805131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).