15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]

C57H36N2 — CID 129262694

IUPAC15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
SMILESc1ccc(C2Nc3cccc4c3N2c2ccccc2C42c3ccccc3-c3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C57H36N2/c1-2-16-35(17-3-1)55-58-51-30-15-29-49-54(51)59(55)52-31-13-12-27-47(52)57(49)46-26-11-7-21-42(46)53-37(22-14-28-48(53)57)36-32-33-41-40-20-6-10-25-45(40)56(50(41)34-36)43-23-8-4-18-38(43)39-19-5-9-24-44(39)56/h1-34,55,58H
InChIKeyRPDZPYRKYDXLMG-UHFFFAOYSA-N
MW748.93 g/mol
LogP13.64
Rot. Bonds2

About 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]

15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] (PubChem CID 129262694) has the molecular formula C57H36N2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Name15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
PubChem CID129262694
Molecular FormulaC57H36N2
Molecular Weight748.93 g/mol
Exact Mass748.29
IUPAC Name15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
SMILESc1ccc(C2Nc3cccc4c3N2c2ccccc2C42c3ccccc3-c3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C57H36N2/c1-2-16-35(17-3-1)55-58-51-30-15-29-49-54(51)59(55)52-31-13-12-27-47(52)57(49)46-26-11-7-21-42(46)53-37(22-14-28-48(53)57)36-32-33-41-40-20-6-10-25-45(40)56(50(41)34-36)43-23-8-4-18-38(43)39-19-5-9-24-44(39)56/h1-34,55,58H
InChIKeyRPDZPYRKYDXLMG-UHFFFAOYSA-N
XLogP13.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 513.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The IUPAC name of 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] (CID 129262694) is 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene].
What is the SMILES notation for 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] is c1ccc(C2Nc3cccc4c3N2c2ccccc2C42c3ccccc3-c3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1.
What is the InChIKey of 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The InChIKey is RPDZPYRKYDXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2/c1-2-16-35(17-3-1)55-58-51-30-15-29-49-54(51)59(55)52-31-13-12-27-47(52)57(49)46-26-11-7-21-42(46)53-37(22-14-28-48(53)57)36-32-33-41-40-20-6-10-25-45(40)56(50(41)34-36)43-23-8-4-18-38(43)39-19-5-9-24-44(39)56/h1-34,55,58H.
What are the key properties of 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] has a molecular weight of 748.93 g/mol, XLogP of 13.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 129262694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).