2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine

C59H37N3 — CID 121241550

IUPAC2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Cc4c(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cccc4-5)c3)n2)cc1
InChIInChI=1S/C59H37N3/c1-3-16-37(17-4-1)56-60-57(38-18-5-2-6-19-38)62-58(61-56)41-21-13-20-39(34-41)42-25-14-27-44-45-28-15-26-43(51(45)36-50(42)44)40-32-33-49-48-24-9-12-31-54(48)59(55(49)35-40)52-29-10-7-22-46(52)47-23-8-11-30-53(47)59/h1-35H,36H2
InChIKeyMPQSDQHMAVJQGD-UHFFFAOYSA-N
MW787.97 g/mol
LogP14.12
Rot. Bonds5

About 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine (PubChem CID 121241550) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
PubChem CID121241550
Molecular FormulaC59H37N3
Molecular Weight787.97 g/mol
Exact Mass787.30
IUPAC Name2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Cc4c(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cccc4-5)c3)n2)cc1
InChIInChI=1S/C59H37N3/c1-3-16-37(17-4-1)56-60-57(38-18-5-2-6-19-38)62-58(61-56)41-21-13-20-39(34-41)42-25-14-27-44-45-28-15-26-43(51(45)36-50(42)44)40-32-33-49-48-24-9-12-31-54(48)59(55(49)35-40)52-29-10-7-22-46(52)47-23-8-11-30-53(47)59/h1-35H,36H2
InChIKeyMPQSDQHMAVJQGD-UHFFFAOYSA-N
XLogP14.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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-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
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine (CID 121241550) is 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Cc4c(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cccc4-5)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is MPQSDQHMAVJQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-3-16-37(17-4-1)56-60-57(38-18-5-2-6-19-38)62-58(61-56)41-21-13-20-39(34-41)42-25-14-27-44-45-28-15-26-43(51(45)36-50(42)44)40-32-33-49-48-24-9-12-31-54(48)59(55(49)35-40)52-29-10-7-22-46(52)47-23-8-11-30-53(47)59/h1-35H,36H2.
What are the key properties of 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 787.97 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 121241550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).