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

C52H37N3 — CID 139400710

IUPAC4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)c3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C52H37N3/c1-5-17-36(18-6-1)49-53-50(37-19-7-2-8-20-37)55-51(54-49)42-24-16-23-40(34-42)38-21-15-22-39(33-38)41-31-32-46-45-29-13-14-30-47(45)52(48(46)35-41,43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-35,51H,(H,53,54,55)
InChIKeyMNWKROGKYDEAPU-UHFFFAOYSA-N
MW703.89 g/mol
LogP11.88
Rot. Bonds7

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

4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 139400710) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID139400710
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)c3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C52H37N3/c1-5-17-36(18-6-1)49-53-50(37-19-7-2-8-20-37)55-51(54-49)42-24-16-23-40(34-42)38-21-15-22-39(33-38)41-31-32-46-45-29-13-14-30-47(45)52(48(46)35-41,43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-35,51H,(H,53,54,55)
InChIKeyMNWKROGKYDEAPU-UHFFFAOYSA-N
XLogP11.88
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 511.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989
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-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
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
2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263672
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
8-[7'-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164793099

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 139400710) is 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)c3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is MNWKROGKYDEAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-5-17-36(18-6-1)49-53-50(37-19-7-2-8-20-37)55-51(54-49)42-24-16-23-40(34-42)38-21-15-22-39(33-38)41-31-32-46-45-29-13-14-30-47(45)52(48(46)35-41,43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-35,51H,(H,53,54,55).
What are the key properties of 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 703.89 g/mol, XLogP of 11.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 139400710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).