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

C57H34N2 — CID 129262614

IUPAC15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
SMILESc1ccc(-c2nc3cccc4c3n2-c2ccccc2C42c3ccccc3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C57H34N2/c1-2-15-35(16-3-1)55-58-52-27-14-26-49-54(52)59(55)53-28-13-12-25-48(53)57(49)47-24-11-7-20-41(47)43-32-30-37(34-51(43)57)36-29-31-42-40-19-6-10-23-46(40)56(50(42)33-36)44-21-8-4-17-38(44)39-18-5-9-22-45(39)56/h1-34H
InChIKeyJIFXPAJUZPYIHV-UHFFFAOYSA-N
MW746.91 g/mol
LogP13.38
Rot. Bonds2

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

15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (PubChem CID 129262614) has the molecular formula C57H34N2 and a molecular weight of 746.91 g/mol. Its IUPAC name is 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].

Molecular Properties

Compound Name15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
PubChem CID129262614
Molecular FormulaC57H34N2
Molecular Weight746.91 g/mol
Exact Mass746.27
IUPAC Name15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
SMILESc1ccc(-c2nc3cccc4c3n2-c2ccccc2C42c3ccccc3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C57H34N2/c1-2-15-35(16-3-1)55-58-52-27-14-26-49-54(52)59(55)53-28-13-12-25-48(53)57(49)47-24-11-7-20-41(47)43-32-30-37(34-51(43)57)36-29-31-42-40-19-6-10-23-46(40)56(50(42)33-36)44-21-8-4-17-38(44)39-18-5-9-22-45(39)56/h1-34H
InChIKeyJIFXPAJUZPYIHV-UHFFFAOYSA-N
XLogP13.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262842
15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262803
15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262820
15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262664
N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine
CID 163517919
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
8-phenyl-15-(9,9'-spirobi[fluorene]-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
CID 122486859
15-phenyl-4'-(9-phenylcarbazol-3-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262721
2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146494721
2'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 153303758
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
2'-[4-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 139521391

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
The IUPAC name of 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (CID 129262614) is 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].
What is the SMILES notation for 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
The canonical SMILES for 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is c1ccc(-c2nc3cccc4c3n2-c2ccccc2C42c3ccccc3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
The InChIKey is JIFXPAJUZPYIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N2/c1-2-15-35(16-3-1)55-58-52-27-14-26-49-54(52)59(55)53-28-13-12-25-48(53)57(49)47-24-11-7-20-41(47)43-32-30-37(34-51(43)57)36-29-31-42-40-19-6-10-23-46(40)56(50(42)33-36)44-21-8-4-17-38(44)39-18-5-9-22-45(39)56/h1-34H.
What are the key properties of 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] has a molecular weight of 746.91 g/mol, XLogP of 13.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is sourced from PubChem (CID 129262614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).