8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran

C56H32O2S — CID 174265507

IUPAC8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran
SMILESc1ccc(-c2oc3c(ccc4sc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccc9ccccc9c78)c7ccccc67)ccc5c43)c2-c2ccccc2)cc1
InChIInChI=1S/C56H32O2S/c1-3-14-34(15-4-1)52-45-28-30-48-54(56(45)58-55(52)35-16-5-2-6-17-35)44-27-24-37(32-49(44)59-48)51-41-21-11-9-19-39(41)50(40-20-10-12-22-42(40)51)36-23-26-43-47(31-36)57-46-29-25-33-13-7-8-18-38(33)53(43)46/h1-32H
InChIKeyWQCFTMZIIMZDBW-UHFFFAOYSA-N
MW768.94 g/mol
LogP16.83
Rot. Bonds4

About 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran

8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran (PubChem CID 174265507) has the molecular formula C56H32O2S and a molecular weight of 768.94 g/mol. Its IUPAC name is 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran.

Molecular Properties

Compound Name8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran
PubChem CID174265507
Molecular FormulaC56H32O2S
Molecular Weight768.94 g/mol
Exact Mass768.21
IUPAC Name8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran
SMILESc1ccc(-c2oc3c(ccc4sc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccc9ccccc9c78)c7ccccc67)ccc5c43)c2-c2ccccc2)cc1
InChIInChI=1S/C56H32O2S/c1-3-14-34(15-4-1)52-45-28-30-48-54(56(45)58-55(52)35-16-5-2-6-17-35)44-27-24-37(32-49(44)59-48)51-41-21-11-9-19-39(41)50(40-20-10-12-22-42(40)51)36-23-26-43-47(31-36)57-46-29-25-33-13-7-8-18-38(33)53(43)46/h1-32H
InChIKeyWQCFTMZIIMZDBW-UHFFFAOYSA-N
XLogP16.83
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.94
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran with MolForge

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Related Compounds

9-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
CID 122425921
9-[10-(2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzothiol-8-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 174266357
18-(10-phenylanthracen-9-yl)-22-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 130190380
6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190458
3-phenyl-2-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176745563
9-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 170653690
20-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxa-12-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 130190509
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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 162089126
3-(10-naphtho[2,1-b][1]benzothiol-10-ylanthracen-9-yl)dibenzofuran
CID 122425780
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
6-(10-naphthalen-2-ylanthracen-9-yl)-18-(10-phenylanthracen-9-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182796
6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190593

Frequently Asked Questions

What is the IUPAC name of 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran?
The IUPAC name of 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran (CID 174265507) is 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran.
What is the SMILES notation for 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran?
The canonical SMILES for 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran is c1ccc(-c2oc3c(ccc4sc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccc9ccccc9c78)c7ccccc67)ccc5c43)c2-c2ccccc2)cc1.
What is the InChIKey of 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran?
The InChIKey is WQCFTMZIIMZDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2S/c1-3-14-34(15-4-1)52-45-28-30-48-54(56(45)58-55(52)35-16-5-2-6-17-35)44-27-24-37(32-49(44)59-48)51-41-21-11-9-19-39(41)50(40-20-10-12-22-42(40)51)36-23-26-43-47(31-36)57-46-29-25-33-13-7-8-18-38(33)53(43)46/h1-32H.
What are the key properties of 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran?
8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran has a molecular weight of 768.94 g/mol, XLogP of 16.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzofuran is sourced from PubChem (CID 174265507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).