2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C65H53N3 — CID 155416578

IUPAC2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1CC2=C(C=C1C1=C(c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3ccccc3CC1C)C(c1ccccc1)(c1ccccc1)C1(C)C=CC=CC21
InChIInChI=1S/C65H53N3/c1-43-39-56-57-36-18-19-37-64(57,3)65(52-31-12-6-13-32-52,53-33-14-7-15-34-53)58(56)42-55(43)59-44(2)38-48-26-16-17-35-54(48)60(59)49-28-21-30-51(41-49)63-67-61(46-24-10-5-11-25-46)66-62(68-63)50-29-20-27-47(40-50)45-22-8-4-9-23-45/h4-37,40-44,57H,38-39H2,1-3H3
InChIKeyVKZGYZALCBDFGE-UHFFFAOYSA-N
MW876.16 g/mol
LogP15.54
Rot. Bonds8

About 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155416578) has the molecular formula C65H53N3 and a molecular weight of 876.16 g/mol. Its IUPAC name is 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID155416578
Molecular FormulaC65H53N3
Molecular Weight876.16 g/mol
Exact Mass875.42
IUPAC Name2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1CC2=C(C=C1C1=C(c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3ccccc3CC1C)C(c1ccccc1)(c1ccccc1)C1(C)C=CC=CC21
InChIInChI=1S/C65H53N3/c1-43-39-56-57-36-18-19-37-64(57,3)65(52-31-12-6-13-32-52,53-33-14-7-15-34-53)58(56)42-55(43)59-44(2)38-48-26-16-17-35-54(48)60(59)49-28-21-30-51(41-49)63-67-61(46-24-10-5-11-25-46)66-62(68-63)50-29-20-27-47(40-50)45-22-8-4-9-23-45/h4-37,40-44,57H,38-39H2,1-3H3
InChIKeyVKZGYZALCBDFGE-UHFFFAOYSA-N
XLogP15.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.16
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163595504
4-[3-[1-[4-(4b-methyl-8aH-triphenylen-2-yl)phenyl]-3-methyl-3,4-dihydronaphthalen-2-yl]phenyl]-2-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 155416627
2-(9a-methyl-5aH-dibenzothiophen-2-yl)-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 163705405
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
CID 139521142
CID 139521142

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 155416578) is 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1CC2=C(C=C1C1=C(c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3ccccc3CC1C)C(c1ccccc1)(c1ccccc1)C1(C)C=CC=CC21.
What is the InChIKey of 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is VKZGYZALCBDFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N3/c1-43-39-56-57-36-18-19-37-64(57,3)65(52-31-12-6-13-32-52,53-33-14-7-15-34-53)58(56)42-55(43)59-44(2)38-48-26-16-17-35-54(48)60(59)49-28-21-30-51(41-49)63-67-61(46-24-10-5-11-25-46)66-62(68-63)50-29-20-27-47(40-50)45-22-8-4-9-23-45/h4-37,40-44,57H,38-39H2,1-3H3.
What are the key properties of 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 876.16 g/mol, XLogP of 15.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155416578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).