2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

C33H18ClN3OS — CID 170399724

IUPAC2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)ccc3c2c1
InChIInChI=1S/C33H18ClN3OS/c34-21-14-16-27-26(18-21)22-15-13-20(17-28(22)38-27)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-11-6-10-24-23-9-4-5-12-29(23)39-30(24)25/h1-18H
InChIKeyHWVOCLPMSGMTOB-UHFFFAOYSA-N
MW540.05 g/mol
LogP9.79
Rot. Bonds3

About 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 170399724) has the molecular formula C33H18ClN3OS and a molecular weight of 540.05 g/mol. Its IUPAC name is 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
PubChem CID170399724
Molecular FormulaC33H18ClN3OS
Molecular Weight540.05 g/mol
Exact Mass539.09
IUPAC Name2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)ccc3c2c1
InChIInChI=1S/C33H18ClN3OS/c34-21-14-16-27-26(18-21)22-15-13-20(17-28(22)38-27)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-11-6-10-24-23-9-4-5-12-29(23)39-30(24)25/h1-18H
InChIKeyHWVOCLPMSGMTOB-UHFFFAOYSA-N
XLogP9.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.05
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-dibenzothiophen-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407726
2-dibenzothiophen-4-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-6-phenyl-1,3,5-triazine
CID 146431796
2-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723669
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
2-[8-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192356
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-[3-[7-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193079

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (CID 170399724) is 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is Clc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)ccc3c2c1.
What is the InChIKey of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The InChIKey is HWVOCLPMSGMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18ClN3OS/c34-21-14-16-27-26(18-21)22-15-13-20(17-28(22)38-27)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-11-6-10-24-23-9-4-5-12-29(23)39-30(24)25/h1-18H.
What are the key properties of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine has a molecular weight of 540.05 g/mol, XLogP of 9.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170399724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).