7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine

C79H61N5 — CID 163561901

About 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine

7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine (PubChem CID 163561901) has the molecular formula C79H61N5 and a molecular weight of 1080.39 g/mol. Its IUPAC name is 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine.

Molecular Properties

• Compound Name: 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine
• PubChem CID: 163561901
• Molecular Formula: C79H61N5
• Molecular Weight: 1080.39 g/mol
• Exact Mass: 1079.49
• IUPAC Name: 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine
• SMILES: C1=CCC(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)ccc4-3)c3ccccc3N(c3ccccc3)C3CCC=CC32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1
• InChI: InChI=1S/C79H61N5/c1-6-24-54(25-7-1)80(59-44-48-75-67(50-59)65-34-16-20-38-73(65)82(75)56-28-10-3-11-29-56)61-42-46-63-64-47-43-62(53-72(64)79(71(63)52-61)69-36-18-22-40-77(69)84(58-32-14-5-15-33-58)78-41-23-19-37-70(78)79)81(55-26-8-2-9-27-55)60-45-49-76-68(51-60)66-35-17-21-39-74(66)83(76)57-30-12-4-13-31-57/h1-20,22,24,26-38,40,42-54,70,78H,21,23,25,39,41H2
• InChIKey: FRXMGVJQFVDXIQ-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.39
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine?

The IUPAC name of 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine (CID 163561901) is 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine.

What is the SMILES notation for 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine?

The canonical SMILES for 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine is C1=CCC(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)ccc4-3)c3ccccc3N(c3ccccc3)C3CCC=CC32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1.

What is the InChIKey of 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine?

The InChIKey is FRXMGVJQFVDXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H61N5/c1-6-24-54(25-7-1)80(59-44-48-75-67(50-59)65-34-16-20-38-73(65)82(75)56-28-10-3-11-29-56)61-42-46-63-64-47-43-62(53-72(64)79(71(63)52-61)69-36-18-22-40-77(69)84(58-32-14-5-15-33-58)78-41-23-19-37-70(78)79)81(55-26-8-2-9-27-55)60-45-49-76-68(51-60)66-35-17-21-39-74(66)83(76)57-30-12-4-13-31-57/h1-20,22,24,26-38,40,42-54,70,78H,21,23,25,39,41H2.

What are the key properties of 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine?

7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine has a molecular weight of 1080.39 g/mol, XLogP of 19.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 163561901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).