2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C41H24ClN3S — CID 155430745

IUPAC2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C41H24ClN3S/c42-31-20-21-33(35(24-31)32-13-7-15-37-38(32)34-12-5-6-14-36(34)46-37)41-44-39(29-18-16-25-8-1-3-10-27(25)22-29)43-40(45-41)30-19-17-26-9-2-4-11-28(26)23-30/h1-24H
InChIKeyQZBZXODESCUOKJ-UHFFFAOYSA-N
MW626.18 g/mol
LogP11.87
Rot. Bonds4

About 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 155430745) has the molecular formula C41H24ClN3S and a molecular weight of 626.18 g/mol. Its IUPAC name is 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID155430745
Molecular FormulaC41H24ClN3S
Molecular Weight626.18 g/mol
Exact Mass625.14
IUPAC Name2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C41H24ClN3S/c42-31-20-21-33(35(24-31)32-13-7-15-37-38(32)34-12-5-6-14-36(34)46-37)41-44-39(29-18-16-25-8-1-3-10-27(25)22-29)43-40(45-41)30-19-17-26-9-2-4-11-28(26)23-30/h1-24H
InChIKeyQZBZXODESCUOKJ-UHFFFAOYSA-N
XLogP11.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.18
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339
2-naphthalen-2-yl-4-phenyl-6-[4-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)naphthalen-1-yl]-1,3,5-triazine
CID 163885835
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356
2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166916860
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942596
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163574454

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 155430745) is 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is QZBZXODESCUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24ClN3S/c42-31-20-21-33(35(24-31)32-13-7-15-37-38(32)34-12-5-6-14-36(34)46-37)41-44-39(29-18-16-25-8-1-3-10-27(25)22-29)43-40(45-41)30-19-17-26-9-2-4-11-28(26)23-30/h1-24H.
What are the key properties of 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 626.18 g/mol, XLogP of 11.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 155430745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).