N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine

C80H62N2O — CID 174291479

About N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174291479) has the molecular formula C80H62N2O and a molecular weight of 1067.39 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 174291479
• Molecular Formula: C80H62N2O
• Molecular Weight: 1067.39 g/mol
• Exact Mass: 1066.49
• IUPAC Name: N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: c1cc(N(c2ccc3c(c2)C2(c4cc(C5CCCCC5)ccc4Oc4ccc(C5CCCCC5)cc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C80H62N2O/c1-3-20-51(21-4-1)53-38-44-77-73(46-53)80(74-47-54(39-45-78(74)83-77)52-22-5-2-6-23-52)70-35-16-10-29-62(70)64-43-41-58(50-72(64)80)81(55-24-19-25-56(48-55)82-75-36-17-11-30-65(75)66-31-12-18-37-76(66)82)57-40-42-63-61-28-9-15-34-69(61)79(71(63)49-57)67-32-13-7-26-59(67)60-27-8-14-33-68(60)79/h7-19,24-52H,1-6,20-23H2
• InChIKey: AKNWUMBALGERPQ-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.39
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 174291479) is N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine is c1cc(N(c2ccc3c(c2)C2(c4cc(C5CCCCC5)ccc4Oc4ccc(C5CCCCC5)cc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is AKNWUMBALGERPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N2O/c1-3-20-51(21-4-1)53-38-44-77-73(46-53)80(74-47-54(39-45-78(74)83-77)52-22-5-2-6-23-52)70-35-16-10-29-62(70)64-43-41-58(50-72(64)80)81(55-24-19-25-56(48-55)82-75-36-17-11-30-65(75)66-31-12-18-37-76(66)82)57-40-42-63-61-28-9-15-34-69(61)79(71(63)49-57)67-32-13-7-26-59(67)60-27-8-14-33-68(60)79/h7-19,24-52H,1-6,20-23H2.

What are the key properties of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?

N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1067.39 g/mol, XLogP of 21.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174291479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).