8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole

C96H54Cl6O3S3 — CID 165031504

IUPAC8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole
SMILESClc1ccc2c(c1)oc1ccc3ccccc3c12.Clc1ccc2c(c1)sc1ccc3ccccc3c12.Clc1ccc2oc3ccc4ccccc4c3c2c1.Clc1ccc2sc3ccc4ccccc4c3c2c1.Clc1cccc2c1oc1ccc3ccccc3c12.Clc1cccc2c1sc1ccc3ccccc3c12
InChIInChI=1S/3C16H9ClO.3C16H9ClS/c17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;17-11-6-7-13-15(9-11)18-14-8-5-10-3-1-2-4-12(10)16(13)14;17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14;17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;17-11-6-7-13-15(9-11)18-14-8-5-10-3-1-2-4-12(10)16(13)14;17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14/h6*1-9H
InChIKeyMSNBHIVBDXWENB-UHFFFAOYSA-N
MW1564.40 g/mol
LogP33.76
Rot. Bonds

About 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole

8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole (PubChem CID 165031504) has the molecular formula C96H54Cl6O3S3 and a molecular weight of 1564.40 g/mol. Its IUPAC name is 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole.

Molecular Properties

Compound Name8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole
PubChem CID165031504
Molecular FormulaC96H54Cl6O3S3
Molecular Weight1564.40 g/mol
Exact Mass1560.14
IUPAC Name8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole
SMILESClc1ccc2c(c1)oc1ccc3ccccc3c12.Clc1ccc2c(c1)sc1ccc3ccccc3c12.Clc1ccc2oc3ccc4ccccc4c3c2c1.Clc1ccc2sc3ccc4ccccc4c3c2c1.Clc1cccc2c1oc1ccc3ccccc3c12.Clc1cccc2c1sc1ccc3ccccc3c12
InChIInChI=1S/3C16H9ClO.3C16H9ClS/c17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;17-11-6-7-13-15(9-11)18-14-8-5-10-3-1-2-4-12(10)16(13)14;17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14;17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;17-11-6-7-13-15(9-11)18-14-8-5-10-3-1-2-4-12(10)16(13)14;17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14/h6*1-9H
InChIKeyMSNBHIVBDXWENB-UHFFFAOYSA-N
XLogP33.76
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001564.40
LogP ≤ 533.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole with MolForge

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Related Compounds

2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene
CID 158314932
7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
CID 174362886
1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole
CID 159824565
3-(10-naphtho[2,1-b][1]benzothiol-10-ylanthracen-9-yl)dibenzofuran
CID 122425780
10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran
CID 134517125
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 160705801
15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 177271268
8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 170396344
N-(4-methylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-4-amine
CID 90263564
N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 130327193
8-chloro-3-phenylnaphtho[2,1-b][1]benzofuran
CID 155335388
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 158723660

Frequently Asked Questions

What is the IUPAC name of 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole?
The IUPAC name of 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole (CID 165031504) is 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole.
What is the SMILES notation for 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole?
The canonical SMILES for 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole is Clc1ccc2c(c1)oc1ccc3ccccc3c12.Clc1ccc2c(c1)sc1ccc3ccccc3c12.Clc1ccc2oc3ccc4ccccc4c3c2c1.Clc1ccc2sc3ccc4ccccc4c3c2c1.Clc1cccc2c1oc1ccc3ccccc3c12.Clc1cccc2c1sc1ccc3ccccc3c12.
What is the InChIKey of 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole?
The InChIKey is MSNBHIVBDXWENB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H9ClO.3C16H9ClS/c17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;17-11-6-7-13-15(9-11)18-14-8-5-10-3-1-2-4-12(10)16(13)14;17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14;17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;17-11-6-7-13-15(9-11)18-14-8-5-10-3-1-2-4-12(10)16(13)14;17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14/h6*1-9H.
What are the key properties of 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole?
8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole has a molecular weight of 1564.40 g/mol, XLogP of 33.76, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole is sourced from PubChem (CID 165031504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).