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]

C59H37N5 — CID 129262842

IUPAC2'-[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]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c(-c7ccccc7)nc7cccc5c76)c4)c3)n2)cc1
InChIInChI=1S/C59H37N5/c1-4-17-38(18-5-1)55-61-56(39-19-6-2-7-20-39)63-57(62-55)45-26-15-25-43(36-45)41-23-14-24-42(35-41)44-33-34-47-46-27-10-11-28-48(46)59(51(47)37-44)49-29-12-13-32-53(49)64-54-50(59)30-16-31-52(54)60-58(64)40-21-8-3-9-22-40/h1-37H
InChIKeyCFEHVFRHZIAWLO-UHFFFAOYSA-N
MW815.98 g/mol
LogP13.89
Rot. Bonds6

About 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]

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] (PubChem CID 129262842) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2'-[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]
PubChem CID129262842
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name2'-[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]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c(-c7ccccc7)nc7cccc5c76)c4)c3)n2)cc1
InChIInChI=1S/C59H37N5/c1-4-17-38(18-5-1)55-61-56(39-19-6-2-7-20-39)63-57(62-55)45-26-15-25-43(36-45)41-23-14-24-42(35-41)44-33-34-47-46-27-10-11-28-48(46)59(51(47)37-44)49-29-12-13-32-53(49)64-54-50(59)30-16-31-52(54)60-58(64)40-21-8-3-9-22-40/h1-37H
InChIKeyCFEHVFRHZIAWLO-UHFFFAOYSA-N
XLogP13.89
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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] with MolForge

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Related Compounds

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
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
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
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
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
10-phenyl-2'-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 160589680

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c(-c7ccccc7)nc7cccc5c76)c4)c3)n2)cc1.
What is the InChIKey of 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]?
The InChIKey is CFEHVFRHZIAWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-4-17-38(18-5-1)55-61-56(39-19-6-2-7-20-39)63-57(62-55)45-26-15-25-43(36-45)41-23-14-24-42(35-41)44-33-34-47-46-27-10-11-28-48(46)59(51(47)37-44)49-29-12-13-32-53(49)64-54-50(59)30-16-31-52(54)60-58(64)40-21-8-3-9-22-40/h1-37H.
What are the key properties of 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]?
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] has a molecular weight of 815.98 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 129262842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).