11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran

C32H18OS — CID 54020986

IUPAC11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(-c3cc4c5ccccc5sc4c4ccccc34)c3c(cc2c1)oc1ccccc13
InChIInChI=1S/C32H18OS/c1-2-10-20-19(9-1)17-28-31(24-14-5-7-15-27(24)33-28)30(20)25-18-26-22-12-6-8-16-29(22)34-32(26)23-13-4-3-11-21(23)25/h1-18H
InChIKeyYIZOQRRHQJZVTQ-UHFFFAOYSA-N
MW450.56 g/mol
LogP9.93
Rot. Bonds1

About 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran

11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran (PubChem CID 54020986) has the molecular formula C32H18OS and a molecular weight of 450.56 g/mol. Its IUPAC name is 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran
PubChem CID54020986
Molecular FormulaC32H18OS
Molecular Weight450.56 g/mol
Exact Mass450.11
IUPAC Name11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(-c3cc4c5ccccc5sc4c4ccccc34)c3c(cc2c1)oc1ccccc13
InChIInChI=1S/C32H18OS/c1-2-10-20-19(9-1)17-28-31(24-14-5-7-15-27(24)33-28)30(20)25-18-26-22-12-6-8-16-29(22)34-32(26)23-13-4-3-11-21(23)25/h1-18H
InChIKeyYIZOQRRHQJZVTQ-UHFFFAOYSA-N
XLogP9.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

6-(10-naphtho[2,3-b][1]benzothiol-6-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712281
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol
CID 18687862
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 147763486
5-(10-dibenzothiophen-4-yl-2-naphthalen-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163526877
3-dibenzothiophen-1-yl-1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 167306846
2-(35-dibenzofuran-2-yl-6,24-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.022,34.023,31.025,30]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23(31),25,27,29,32,34-heptadecaen-17-yl)dibenzofuran
CID 89416920
3-naphtho[1,2-b][1]benzothiol-8-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167306835
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163775323
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259541
3-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-16-yl)-7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 130186562

Frequently Asked Questions

What is the IUPAC name of 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran (CID 54020986) is 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran is c1ccc2c(-c3cc4c5ccccc5sc4c4ccccc34)c3c(cc2c1)oc1ccccc13.
What is the InChIKey of 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran?
The InChIKey is YIZOQRRHQJZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18OS/c1-2-10-20-19(9-1)17-28-31(24-14-5-7-15-27(24)33-28)30(20)25-18-26-22-12-6-8-16-29(22)34-32(26)23-13-4-3-11-21(23)25/h1-18H.
What are the key properties of 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran?
11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran has a molecular weight of 450.56 g/mol, XLogP of 9.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 54020986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).