2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine

C56H43N3O — CID 140946481

IUPAC2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESC=CC1=CC(c2ccc3oc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7C7=C(CCC=C7)C8(C)C)n6)cc5)c4c3c2)CC=C1c1ccccc1
InChIInChI=1S/C56H43N3O/c1-4-35-33-40(29-31-42(35)36-15-7-5-8-16-36)41-30-32-49-46(34-41)52-43(20-14-24-50(52)60-49)37-25-27-39(28-26-37)54-57-53(38-17-9-6-10-18-38)58-55(59-54)45-21-13-23-48-51(45)44-19-11-12-22-47(44)56(48,2)3/h4-11,13-21,23-28,30-34,40H,1,12,22,29H2,2-3H3
InChIKeyHOKYXDFPELBFLN-UHFFFAOYSA-N
MW773.98 g/mol
LogP14.52
Rot. Bonds7

About 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 140946481) has the molecular formula C56H43N3O and a molecular weight of 773.98 g/mol. Its IUPAC name is 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID140946481
Molecular FormulaC56H43N3O
Molecular Weight773.98 g/mol
Exact Mass773.34
IUPAC Name2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESC=CC1=CC(c2ccc3oc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7C7=C(CCC=C7)C8(C)C)n6)cc5)c4c3c2)CC=C1c1ccccc1
InChIInChI=1S/C56H43N3O/c1-4-35-33-40(29-31-42(35)36-15-7-5-8-16-36)41-30-32-49-46(34-41)52-43(20-14-24-50(52)60-49)37-25-27-39(28-26-37)54-57-53(38-17-9-6-10-18-38)58-55(59-54)45-21-13-23-48-51(45)44-19-11-12-22-47(44)56(48,2)3/h4-11,13-21,23-28,30-34,40H,1,12,22,29H2,2-3H3
InChIKeyHOKYXDFPELBFLN-UHFFFAOYSA-N
XLogP14.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

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-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292164
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
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-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199117
2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166565485
2-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002414
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217923
2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369056
2-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681081

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 140946481) is 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is C=CC1=CC(c2ccc3oc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7C7=C(CCC=C7)C8(C)C)n6)cc5)c4c3c2)CC=C1c1ccccc1.
What is the InChIKey of 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is HOKYXDFPELBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N3O/c1-4-35-33-40(29-31-42(35)36-15-7-5-8-16-36)41-30-32-49-46(34-41)52-43(20-14-24-50(52)60-49)37-25-27-39(28-26-37)54-57-53(38-17-9-6-10-18-38)58-55(59-54)45-21-13-23-48-51(45)44-19-11-12-22-47(44)56(48,2)3/h4-11,13-21,23-28,30-34,40H,1,12,22,29H2,2-3H3.
What are the key properties of 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 773.98 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 140946481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).