N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C73H46N2S — CID 121358660

About N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 121358660) has the molecular formula C73H46N2S and a molecular weight of 983.25 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

• Compound Name: N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
• PubChem CID: 121358660
• Molecular Formula: C73H46N2S
• Molecular Weight: 983.25 g/mol
• Exact Mass: 982.34
• IUPAC Name: N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
• SMILES: c1ccc(-c2ccc3sc4ccc(-c5ccc(N(c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)cc6)c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4c3c2)cc1
• InChI: InChI=1S/C73H46N2S/c1-3-17-47(18-4-1)50-37-43-69-61(45-50)62-46-51(38-44-70(62)76-69)48-33-39-53(40-34-48)74(54-41-35-49(36-42-54)55-25-15-31-67-71(55)60-24-10-14-30-66(60)75(67)52-19-5-2-6-20-52)68-32-16-26-59-58-23-9-13-29-65(58)73(72(59)68)63-27-11-7-21-56(63)57-22-8-12-28-64(57)73/h1-46H
• InChIKey: RIARYGNZIUUGLA-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.25
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

The IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 121358660) is N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

What is the SMILES notation for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

The canonical SMILES for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2ccc3sc4ccc(-c5ccc(N(c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)cc6)c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4c3c2)cc1.

What is the InChIKey of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

The InChIKey is RIARYGNZIUUGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2S/c1-3-17-47(18-4-1)50-37-43-69-61(45-50)62-46-51(38-44-70(62)76-69)48-33-39-53(40-34-48)74(54-41-35-49(36-42-54)55-25-15-31-67-71(55)60-24-10-14-30-66(60)75(67)52-19-5-2-6-20-52)68-32-16-26-59-58-23-9-13-29-65(58)73(72(59)68)63-27-11-7-21-56(63)57-22-8-12-28-64(57)73/h1-46H.

What are the key properties of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 983.25 g/mol, XLogP of 19.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 121358660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).