9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine

C75H49N3 — CID 163502975

About 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine

9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine (PubChem CID 163502975) has the molecular formula C75H49N3 and a molecular weight of 996.26 g/mol. Its IUPAC name is 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
• PubChem CID: 163502975
• Molecular Formula: C75H49N3
• Molecular Weight: 996.26 g/mol
• Exact Mass: 995.42
• IUPAC Name: 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccccc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c1
• InChI: InChI=1S/C75H49N3/c1-3-20-55(21-4-1)77(72-33-17-19-51-18-7-8-24-61(51)72)57-39-36-50(37-40-57)52-34-35-54-47-58(41-38-53(54)46-52)76(60-43-45-67-66-28-12-16-32-73(66)78(74(67)49-60)56-22-5-2-6-23-56)59-42-44-65-64-27-11-15-31-70(64)75(71(65)48-59)68-29-13-9-25-62(68)63-26-10-14-30-69(63)75/h1-49H/i36D,37D,39D,40D
• InChIKey: YBXSBBACTCMNEV-HSAYPGKUSA-N
• XLogP: 20.04
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.26
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

The IUPAC name of 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine (CID 163502975) is 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine.

What is the SMILES notation for 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

The canonical SMILES for 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine is [2H]c1c([2H])c(N(c2ccccc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c1.

What is the InChIKey of 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

The InChIKey is YBXSBBACTCMNEV-HSAYPGKUSA-N. The full InChI is InChI=1S/C75H49N3/c1-3-20-55(21-4-1)77(72-33-17-19-51-18-7-8-24-61(51)72)57-39-36-50(37-40-57)52-34-35-54-47-58(41-38-53(54)46-52)76(60-43-45-67-66-28-12-16-32-73(66)78(74(67)49-60)56-22-5-2-6-23-56)59-42-44-65-64-27-11-15-31-70(64)75(71(65)48-59)68-29-13-9-25-62(68)63-26-10-14-30-69(63)75/h1-49H/i36D,37D,39D,40D.

What are the key properties of 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine has a molecular weight of 996.26 g/mol, XLogP of 20.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine is sourced from PubChem (CID 163502975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).