2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine

C58H39N3 — CID 174294989

IUPAC2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c5ccccc5c5ccccc5c4c3)N=C(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)N2)cc1
InChIInChI=1S/C58H39N3/c1-4-17-38(18-5-1)55-59-56(61-57(60-55)42-31-33-49-47-27-11-10-25-45(47)46-26-12-13-28-48(46)51(49)37-42)41-20-16-19-39(35-41)40-32-34-54-52(36-40)50-29-14-15-30-53(50)58(54,43-21-6-2-7-22-43)44-23-8-3-9-24-44/h1-37,57H,(H,59,60,61)
InChIKeyBHNAOOPLMLALSJ-UHFFFAOYSA-N
MW777.97 g/mol
LogP13.67
Rot. Bonds6

About 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine

2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 174294989) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
PubChem CID174294989
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c5ccccc5c5ccccc5c4c3)N=C(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)N2)cc1
InChIInChI=1S/C58H39N3/c1-4-17-38(18-5-1)55-59-56(61-57(60-55)42-31-33-49-47-27-11-10-25-45(47)46-26-12-13-28-48(46)51(49)37-42)41-20-16-19-39(35-41)40-32-34-54-52(36-40)50-29-14-15-30-53(50)58(54,43-21-6-2-7-22-43)44-23-8-3-9-24-44/h1-37,57H,(H,59,60,61)
InChIKeyBHNAOOPLMLALSJ-UHFFFAOYSA-N
XLogP13.67
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 513.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
3-[3-[6-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]aniline
CID 146495382
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129157187
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-4-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 138574405
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263303
3,9,9-triphenylfluorene
CID 140844354
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine (CID 174294989) is 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c5ccccc5c5ccccc5c4c3)N=C(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)N2)cc1.
What is the InChIKey of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is BHNAOOPLMLALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-4-17-38(18-5-1)55-59-56(61-57(60-55)42-31-33-49-47-27-11-10-25-45(47)46-26-12-13-28-48(46)51(49)37-42)41-20-16-19-39(35-41)40-32-34-54-52(36-40)50-29-14-15-30-53(50)58(54,43-21-6-2-7-22-43)44-23-8-3-9-24-44/h1-37,57H,(H,59,60,61).
What are the key properties of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine?
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 777.97 g/mol, XLogP of 13.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 174294989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).