azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene

C28H19NS3 — CID 146525628

IUPACazane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene
SMILESN.c1ccc2c(-c3ccc4sc5ccccc5c4c3-c3csc4ccccc34)csc2c1
InChIInChI=1S/C28H16S3.H3N/c1-4-10-23-17(7-1)21(15-29-23)19-13-14-26-28(20-9-3-6-12-25(20)31-26)27(19)22-16-30-24-11-5-2-8-18(22)24;/h1-16H;1H3
InChIKeyDUYKECZQDSMNOG-UHFFFAOYSA-N
MW465.67 g/mol
LogP9.98
Rot. Bonds2

About azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene

azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene (PubChem CID 146525628) has the molecular formula C28H19NS3 and a molecular weight of 465.67 g/mol. Its IUPAC name is azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene.

Molecular Properties

Compound Nameazane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene
PubChem CID146525628
Molecular FormulaC28H19NS3
Molecular Weight465.67 g/mol
Exact Mass465.07
IUPAC Nameazane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene
SMILESN.c1ccc2c(-c3ccc4sc5ccccc5c4c3-c3csc4ccccc34)csc2c1
InChIInChI=1S/C28H16S3.H3N/c1-4-10-23-17(7-1)21(15-29-23)19-13-14-26-28(20-9-3-6-12-25(20)31-26)27(19)22-16-30-24-11-5-2-8-18(22)24;/h1-16H;1H3
InChIKeyDUYKECZQDSMNOG-UHFFFAOYSA-N
XLogP9.98
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.67
LogP ≤ 59.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzothiophen-3-yl)-2-methylidene-21-thiahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3(8),4,6,9(24),10,12,14(22),15,17,19-undecaene
CID 118603678
2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione
CID 101153318
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
CID 134272865
CID 134272865
1-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 174292374
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357
1-phenyldibenzothiophene;hydrobromide
CID 174679709
12H-fluoreno[2,1-b][1]benzothiole
CID 122434434
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527

Frequently Asked Questions

What is the IUPAC name of azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene?
The IUPAC name of azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene (CID 146525628) is azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene.
What is the SMILES notation for azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene?
The canonical SMILES for azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene is N.c1ccc2c(-c3ccc4sc5ccccc5c4c3-c3csc4ccccc34)csc2c1.
What is the InChIKey of azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene?
The InChIKey is DUYKECZQDSMNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16S3.H3N/c1-4-10-23-17(7-1)21(15-29-23)19-13-14-26-28(20-9-3-6-12-25(20)31-26)27(19)22-16-30-24-11-5-2-8-18(22)24;/h1-16H;1H3.
What are the key properties of azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene?
azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene has a molecular weight of 465.67 g/mol, XLogP of 9.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene is sourced from PubChem (CID 146525628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).