1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran

C30H17ClOS — CID 176824741

IUPAC1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran
SMILESClc1ccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c2oc3ccccc3c12
InChIInChI=1S/C30H17ClOS/c31-25-16-15-20(29-28(25)24-10-1-3-13-26(24)32-29)18-7-5-8-19(17-18)21-11-6-12-23-22-9-2-4-14-27(22)33-30(21)23/h1-17H
InChIKeyHVRGGBNXTJFWDE-UHFFFAOYSA-N
MW460.99 g/mol
LogP9.94
Rot. Bonds2

About 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran

1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran (PubChem CID 176824741) has the molecular formula C30H17ClOS and a molecular weight of 460.99 g/mol. Its IUPAC name is 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran
PubChem CID176824741
Molecular FormulaC30H17ClOS
Molecular Weight460.99 g/mol
Exact Mass460.07
IUPAC Name1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran
SMILESClc1ccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c2oc3ccccc3c12
InChIInChI=1S/C30H17ClOS/c31-25-16-15-20(29-28(25)24-10-1-3-13-26(24)32-29)18-7-5-8-19(17-18)21-11-6-12-23-22-9-2-4-14-27(22)33-30(21)23/h1-17H
InChIKeyHVRGGBNXTJFWDE-UHFFFAOYSA-N
XLogP9.94
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.99
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
CID 170278959
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 165006539
4-[3-(2-dibenzofuran-4-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171582779
4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
CID 160970567
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran?
The IUPAC name of 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran (CID 176824741) is 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran.
What is the SMILES notation for 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran?
The canonical SMILES for 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran is Clc1ccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c2oc3ccccc3c12.
What is the InChIKey of 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran?
The InChIKey is HVRGGBNXTJFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17ClOS/c31-25-16-15-20(29-28(25)24-10-1-3-13-26(24)32-29)18-7-5-8-19(17-18)21-11-6-12-23-22-9-2-4-14-27(22)33-30(21)23/h1-17H.
What are the key properties of 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran?
1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran has a molecular weight of 460.99 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran is sourced from PubChem (CID 176824741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).