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

C63H49N3 — CID 155416627

IUPAC4-[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
SMILESCC1Cc2ccccc2C(c2ccc(-c3ccc4c(c3)-c3ccccc3C3C=CC=CC43C)cc2)=C1c1cccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccccc4)c3)=N2)c1
InChIInChI=1S/C63H49N3/c1-41-37-48-21-9-10-26-52(48)59(44-32-30-43(31-33-44)47-34-35-57-55(40-47)53-27-11-12-28-54(53)56-29-13-14-36-63(56,57)2)58(41)49-23-16-25-51(39-49)62-65-60(45-19-7-4-8-20-45)64-61(66-62)50-24-15-22-46(38-50)42-17-5-3-6-18-42/h3-36,38-41,56,60H,37H2,1-2H3,(H,64,65,66)
InChIKeyUDPHYISNQJKSPQ-UHFFFAOYSA-N
MW848.11 g/mol
LogP14.82
Rot. Bonds7

About 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

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 (PubChem CID 155416627) has the molecular formula C63H49N3 and a molecular weight of 848.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID155416627
Molecular FormulaC63H49N3
Molecular Weight848.11 g/mol
Exact Mass847.39
IUPAC Name4-[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
SMILESCC1Cc2ccccc2C(c2ccc(-c3ccc4c(c3)-c3ccccc3C3C=CC=CC43C)cc2)=C1c1cccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccccc4)c3)=N2)c1
InChIInChI=1S/C63H49N3/c1-41-37-48-21-9-10-26-52(48)59(44-32-30-43(31-33-44)47-34-35-57-55(40-47)53-27-11-12-28-54(53)56-29-13-14-36-63(56,57)2)58(41)49-23-16-25-51(39-49)62-65-60(45-19-7-4-8-20-45)64-61(66-62)50-24-15-22-46(38-50)42-17-5-3-6-18-42/h3-36,38-41,56,60H,37H2,1-2H3,(H,64,65,66)
InChIKeyUDPHYISNQJKSPQ-UHFFFAOYSA-N
XLogP14.82
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.11
LogP ≤ 514.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
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
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole
CID 137208678
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
2-[3-(4b-methyl-8aH-triphenylen-2-yl)phenyl]-N'-methyl-N-[1-phenyl-3-(3-phenylphenyl)propyl]benzenecarboximidamide
CID 146360021
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine
CID 174300049

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1Cc2ccccc2C(c2ccc(-c3ccc4c(c3)-c3ccccc3C3C=CC=CC43C)cc2)=C1c1cccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccccc4)c3)=N2)c1.
What is the InChIKey of 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?
The InChIKey is UDPHYISNQJKSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N3/c1-41-37-48-21-9-10-26-52(48)59(44-32-30-43(31-33-44)47-34-35-57-55(40-47)53-27-11-12-28-54(53)56-29-13-14-36-63(56,57)2)58(41)49-23-16-25-51(39-49)62-65-60(45-19-7-4-8-20-45)64-61(66-62)50-24-15-22-46(38-50)42-17-5-3-6-18-42/h3-36,38-41,56,60H,37H2,1-2H3,(H,64,65,66).
What are the key properties of 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?
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 has a molecular weight of 848.11 g/mol, XLogP of 14.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155416627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).