1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole

C52H36N4 — CID 126496171

IUPAC1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole
SMILESCc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5[nH]c5c(-c7ccc(-c8ccccc8)cc7)cccc56)c4)n3)cc2)c1
InChIInChI=1S/C52H36N4/c1-34-12-8-17-41(32-34)37-26-30-40(31-27-37)51-54-50(39-15-6-3-7-16-39)55-52(56-51)43-19-9-18-42(33-43)45-21-11-23-47-46-22-10-20-44(48(46)53-49(45)47)38-28-24-36(25-29-38)35-13-4-2-5-14-35/h2-33,53H,1H3
InChIKeyXLMITLPDCLGZBC-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.48
Rot. Bonds7

About 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole

1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole (PubChem CID 126496171) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole.

Molecular Properties

Compound Name1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole
PubChem CID126496171
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole
SMILESCc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5[nH]c5c(-c7ccc(-c8ccccc8)cc7)cccc56)c4)n3)cc2)c1
InChIInChI=1S/C52H36N4/c1-34-12-8-17-41(32-34)37-26-30-40(31-27-37)51-54-50(39-15-6-3-7-16-39)55-52(56-51)43-19-9-18-42(33-43)45-21-11-23-47-46-22-10-20-44(48(46)53-49(45)47)38-28-24-36(25-29-38)35-13-4-2-5-14-35/h2-33,53H,1H3
InChIKeyXLMITLPDCLGZBC-UHFFFAOYSA-N
XLogP13.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 513.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
2-(2-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 160977966
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 147995292

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole?
The IUPAC name of 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole (CID 126496171) is 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole.
What is the SMILES notation for 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole?
The canonical SMILES for 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole is Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5[nH]c5c(-c7ccc(-c8ccccc8)cc7)cccc56)c4)n3)cc2)c1.
What is the InChIKey of 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole?
The InChIKey is XLMITLPDCLGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-34-12-8-17-41(32-34)37-26-30-40(31-27-37)51-54-50(39-15-6-3-7-16-39)55-52(56-51)43-19-9-18-42(33-43)45-21-11-23-47-46-22-10-20-44(48(46)53-49(45)47)38-28-24-36(25-29-38)35-13-4-2-5-14-35/h2-33,53H,1H3.
What are the key properties of 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole?
1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole has a molecular weight of 716.89 g/mol, XLogP of 13.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole is sourced from PubChem (CID 126496171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).