2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine

C51H32ClN3O — CID 138691591

IUPAC2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C51H32ClN3O/c52-51-54-49(53-50(55-51)39-29-30-41-40-23-13-14-24-44(40)56-45(41)31-39)38-27-25-34(26-28-38)43-32-42(33-15-5-1-6-16-33)46(35-17-7-2-8-18-35)48(37-21-11-4-12-22-37)47(43)36-19-9-3-10-20-36/h1-32H
InChIKeyMHTHKHCSMLNKRV-UHFFFAOYSA-N
MW738.29 g/mol
LogP14.09
Rot. Bonds7

About 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine

2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 138691591) has the molecular formula C51H32ClN3O and a molecular weight of 738.29 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID138691591
Molecular FormulaC51H32ClN3O
Molecular Weight738.29 g/mol
Exact Mass737.22
IUPAC Name2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C51H32ClN3O/c52-51-54-49(53-50(55-51)39-29-30-41-40-23-13-14-24-44(40)56-45(41)31-39)38-27-25-34(26-28-38)43-32-42(33-15-5-1-6-16-33)46(35-17-7-2-8-18-35)48(37-21-11-4-12-22-37)47(43)36-19-9-3-10-20-36/h1-32H
InChIKeyMHTHKHCSMLNKRV-UHFFFAOYSA-N
XLogP14.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.29
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691606
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 138691594
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155451259
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 155441081
2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-(2-chlorophenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 166741775

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (CID 138691591) is 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is Clc1nc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is MHTHKHCSMLNKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32ClN3O/c52-51-54-49(53-50(55-51)39-29-30-41-40-23-13-14-24-44(40)56-45(41)31-39)38-27-25-34(26-28-38)43-32-42(33-15-5-1-6-16-33)46(35-17-7-2-8-18-35)48(37-21-11-4-12-22-37)47(43)36-19-9-3-10-20-36/h1-32H.
What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 738.29 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 138691591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).