2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

C65H41N3O — CID 167260866

IUPAC2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5c34)n2)c1
InChIInChI=1S/C65H41N3O/c1-40-14-11-17-47(38-40)63-66-62(45-34-30-42(31-35-45)41-15-3-2-4-16-41)67-64(68-63)52-22-13-27-59-61(52)53-39-46(36-37-58(53)69-59)43-28-32-44(33-29-43)48-21-12-26-57-60(48)51-20-7-10-25-56(51)65(57)54-23-8-5-18-49(54)50-19-6-9-24-55(50)65/h2-39H,1H3
InChIKeyVYFCKPRZAZUMQI-UHFFFAOYSA-N
MW880.06 g/mol
LogP16.42
Rot. Bonds6

About 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 167260866) has the molecular formula C65H41N3O and a molecular weight of 880.06 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID167260866
Molecular FormulaC65H41N3O
Molecular Weight880.06 g/mol
Exact Mass879.32
IUPAC Name2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5c34)n2)c1
InChIInChI=1S/C65H41N3O/c1-40-14-11-17-47(38-40)63-66-62(45-34-30-42(31-35-45)41-15-3-2-4-16-41)67-64(68-63)52-22-13-27-59-61(52)53-39-46(36-37-58(53)69-59)43-28-32-44(33-29-43)48-21-12-26-57-60(48)51-20-7-10-25-56(51)65(57)54-23-8-5-18-49(54)50-19-6-9-24-55(50)65/h2-39H,1H3
InChIKeyVYFCKPRZAZUMQI-UHFFFAOYSA-N
XLogP16.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003003
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368965
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 138600966
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 129291968
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002404
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734754

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 167260866) is 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is Cc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5c34)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is VYFCKPRZAZUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3O/c1-40-14-11-17-47(38-40)63-66-62(45-34-30-42(31-35-45)41-15-3-2-4-16-41)67-64(68-63)52-22-13-27-59-61(52)53-39-46(36-37-58(53)69-59)43-28-32-44(33-29-43)48-21-12-26-57-60(48)51-20-7-10-25-56(51)65(57)54-23-8-5-18-49(54)50-19-6-9-24-55(50)65/h2-39H,1H3.
What are the key properties of 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 880.06 g/mol, XLogP of 16.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167260866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).