2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C50H34N6O — CID 130440010

IUPAC2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ncnc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(C)cc9)n8)cc7)cc6c5c4)cc3)n2)cc1
InChIInChI=1S/C50H34N6O/c1-31-8-12-36(13-9-31)46-51-30-52-47(53-46)37-20-16-33(17-21-37)40-24-26-44-42(28-40)43-29-41(25-27-45(43)57-44)34-18-22-39(23-19-34)50-55-48(35-6-4-3-5-7-35)54-49(56-50)38-14-10-32(2)11-15-38/h3-30H,1-2H3
InChIKeyLJHCNYRPSSMLPY-UHFFFAOYSA-N
MW734.86 g/mol
LogP12.24
Rot. Bonds7

About 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 130440010) has the molecular formula C50H34N6O and a molecular weight of 734.86 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID130440010
Molecular FormulaC50H34N6O
Molecular Weight734.86 g/mol
Exact Mass734.28
IUPAC Name2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ncnc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(C)cc9)n8)cc7)cc6c5c4)cc3)n2)cc1
InChIInChI=1S/C50H34N6O/c1-31-8-12-36(13-9-31)46-51-30-52-47(53-46)37-20-16-33(17-21-37)40-24-26-44-42(28-40)43-29-41(25-27-45(43)57-44)34-18-22-39(23-19-34)50-55-48(35-6-4-3-5-7-35)54-49(56-50)38-14-10-32(2)11-15-38/h3-30H,1-2H3
InChIKeyLJHCNYRPSSMLPY-UHFFFAOYSA-N
XLogP12.24
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
CID 167309669
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 130440010) is 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine is Cc1ccc(-c2ncnc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(C)cc9)n8)cc7)cc6c5c4)cc3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is LJHCNYRPSSMLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6O/c1-31-8-12-36(13-9-31)46-51-30-52-47(53-46)37-20-16-33(17-21-37)40-24-26-44-42(28-40)43-29-41(25-27-45(43)57-44)34-18-22-39(23-19-34)50-55-48(35-6-4-3-5-7-35)54-49(56-50)38-14-10-32(2)11-15-38/h3-30H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 734.86 g/mol, XLogP of 12.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 130440010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).