N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine

C108H75N3 — CID 138643341

About N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine

N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 138643341) has the molecular formula C108H75N3 and a molecular weight of 1414.81 g/mol. Its IUPAC name is N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 138643341
• Molecular Formula: C108H75N3
• Molecular Weight: 1414.81 g/mol
• Exact Mass: 1413.60
• IUPAC Name: N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccc(-c3ccc4c5ccccc5c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7N(c7ccccc7)c7ccccc76)ccc5c4c3)cc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C108H75N3/c1-106(2)95-63-51-74(65-94(95)91-62-57-80(67-100(91)106)110(103-45-25-20-36-82(103)72-30-10-5-11-31-72)81-56-60-89-87-39-18-21-41-96(87)107(3,101(89)68-81)75-32-12-6-13-33-75)73-50-58-85-83-37-16-17-38-84(83)93-66-78(54-59-86(93)92(85)64-73)109(77-52-48-71(49-53-77)70-28-8-4-9-29-70)79-55-61-90-88-40-19-22-42-97(88)108(102(90)69-79)98-43-23-26-46-104(98)111(76-34-14-7-15-35-76)105-47-27-24-44-99(105)108/h4-69H,1-3H3
• InChIKey: UKDMVPGDEHYTFD-UHFFFAOYSA-N
• XLogP: 28.87
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1414.81
LogP ≤ 5	28.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?

The IUPAC name of N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine (CID 138643341) is N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?

The canonical SMILES for N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine is CC1(C)c2ccc(-c3ccc4c5ccccc5c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7N(c7ccccc7)c7ccccc76)ccc5c4c3)cc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?

The InChIKey is UKDMVPGDEHYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H75N3/c1-106(2)95-63-51-74(65-94(95)91-62-57-80(67-100(91)106)110(103-45-25-20-36-82(103)72-30-10-5-11-31-72)81-56-60-89-87-39-18-21-41-96(87)107(3,101(89)68-81)75-32-12-6-13-33-75)73-50-58-85-83-37-16-17-38-84(83)93-66-78(54-59-86(93)92(85)64-73)109(77-52-48-71(49-53-77)70-28-8-4-9-29-70)79-55-61-90-88-40-19-22-42-97(88)108(102(90)69-79)98-43-23-26-46-104(98)111(76-34-14-7-15-35-76)105-47-27-24-44-99(105)108/h4-69H,1-3H3.

What are the key properties of N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?

N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 1414.81 g/mol, XLogP of 28.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[9,9-dimethyl-7-(N-(9-methyl-9-phenylfluoren-2-yl)-2-phenylanilino)fluoren-3-yl]triphenylen-2-yl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 138643341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).