2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C43H35N3 — CID 134182691

IUPAC2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C43H35N3/c1-2-3-10-31-15-17-34(18-16-31)37-23-29-40(30-24-37)43-45-41(38-25-19-35(20-26-38)32-11-6-4-7-12-32)44-42(46-43)39-27-21-36(22-28-39)33-13-8-5-9-14-33/h4-9,11-30H,2-3,10H2,1H3
InChIKeyCOTVGCGQKWRTGR-UHFFFAOYSA-N
MW593.77 g/mol
LogP11.22
Rot. Bonds9

About 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 134182691) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID134182691
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C43H35N3/c1-2-3-10-31-15-17-34(18-16-31)37-23-29-40(30-24-37)43-45-41(38-25-19-35(20-26-38)32-11-6-4-7-12-32)44-42(46-43)39-27-21-36(22-28-39)33-13-8-5-9-14-33/h4-9,11-30H,2-3,10H2,1H3
InChIKeyCOTVGCGQKWRTGR-UHFFFAOYSA-N
XLogP11.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

1-butyl-4-phenylbenzene;ethane
CID 143743409
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-pentadecyl-4-phenylbenzene
CID 57166115
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
2-[4-(4-butylphenyl)phenyl]pyrimidine
CID 57129115
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine
CID 88918282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 134182691) is 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is CCCCc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is COTVGCGQKWRTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-2-3-10-31-15-17-34(18-16-31)37-23-29-40(30-24-37)43-45-41(38-25-19-35(20-26-38)32-11-6-4-7-12-32)44-42(46-43)39-27-21-36(22-28-39)33-13-8-5-9-14-33/h4-9,11-30H,2-3,10H2,1H3.
What are the key properties of 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 593.77 g/mol, XLogP of 11.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134182691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).