7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran

C28H15ClOS — CID 174362886

IUPAC7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
SMILESClc1ccc2c(c1)oc1cccc(-c3cccc4sc5c6ccccc6ccc5c34)c12
InChIInChI=1S/C28H15ClOS/c29-17-12-14-21-24(15-17)30-23-9-3-7-19(26(21)23)20-8-4-10-25-27(20)22-13-11-16-5-1-2-6-18(16)28(22)31-25/h1-15H
InChIKeyBYYWBOOBQUNHLH-UHFFFAOYSA-N
MW434.95 g/mol
LogP9.43
Rot. Bonds1

About 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran

7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran (PubChem CID 174362886) has the molecular formula C28H15ClOS and a molecular weight of 434.95 g/mol. Its IUPAC name is 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran.

Molecular Properties

Compound Name7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
PubChem CID174362886
Molecular FormulaC28H15ClOS
Molecular Weight434.95 g/mol
Exact Mass434.05
IUPAC Name7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
SMILESClc1ccc2c(c1)oc1cccc(-c3cccc4sc5c6ccccc6ccc5c34)c12
InChIInChI=1S/C28H15ClOS/c29-17-12-14-21-24(15-17)30-23-9-3-7-19(26(21)23)20-8-4-10-25-27(20)22-13-11-16-5-1-2-6-18(16)28(22)31-25/h1-15H
InChIKeyBYYWBOOBQUNHLH-UHFFFAOYSA-N
XLogP9.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-naphtho[1,2-b][1]benzothiol-7-yl-1,3,5-triazine
CID 162696771
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545
7-chloro-1-naphthalen-1-yldibenzothiophene
CID 166055459
N-dibenzofuran-1-yl-N-(3-naphtho[1,2-b][1]benzothiol-7-yltriphenylen-2-yl)dibenzofuran-2-amine
CID 177294752
2-(7-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171587100
8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 170396344
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol
CID 162700640
2-benzo[g]phenanthren-4-yl-4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazine
CID 170015313
4-[9-(4-chlorophenyl)dibenzothiophen-4-yl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145430454
2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741757
1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
CID 156695180

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran?
The IUPAC name of 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran (CID 174362886) is 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran.
What is the SMILES notation for 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran?
The canonical SMILES for 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran is Clc1ccc2c(c1)oc1cccc(-c3cccc4sc5c6ccccc6ccc5c34)c12.
What is the InChIKey of 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran?
The InChIKey is BYYWBOOBQUNHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15ClOS/c29-17-12-14-21-24(15-17)30-23-9-3-7-19(26(21)23)20-8-4-10-25-27(20)22-13-11-16-5-1-2-6-18(16)28(22)31-25/h1-15H.
What are the key properties of 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran?
7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran has a molecular weight of 434.95 g/mol, XLogP of 9.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran is sourced from PubChem (CID 174362886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).