6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran

C56H32O2S — CID 174264894

IUPAC6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran
SMILESc1ccc(-c2sc3cc4oc5ccc(-c6c7ccccc7c(-c7cccc8oc9c%10ccccc%10ccc9c78)c7ccccc67)cc5c4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C56H32O2S/c1-3-15-34(16-4-1)52-46-31-45-44-30-36(27-29-47(44)57-49(45)32-50(46)59-56(52)35-17-5-2-6-18-35)51-38-20-9-11-22-40(38)53(41-23-12-10-21-39(41)51)42-24-13-25-48-54(42)43-28-26-33-14-7-8-19-37(33)55(43)58-48/h1-32H
InChIKeyPOAQPMFUADENEG-UHFFFAOYSA-N
MW768.94 g/mol
LogP16.83
Rot. Bonds4

About 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran

6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran (PubChem CID 174264894) has the molecular formula C56H32O2S and a molecular weight of 768.94 g/mol. Its IUPAC name is 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran
PubChem CID174264894
Molecular FormulaC56H32O2S
Molecular Weight768.94 g/mol
Exact Mass768.21
IUPAC Name6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran
SMILESc1ccc(-c2sc3cc4oc5ccc(-c6c7ccccc7c(-c7cccc8oc9c%10ccccc%10ccc9c78)c7ccccc67)cc5c4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C56H32O2S/c1-3-15-34(16-4-1)52-46-31-45-44-30-36(27-29-47(44)57-49(45)32-50(46)59-56(52)35-17-5-2-6-18-35)51-38-20-9-11-22-40(38)53(41-23-12-10-21-39(41)51)42-24-13-25-48-54(42)43-28-26-33-14-7-8-19-37(33)55(43)58-48/h1-32H
InChIKeyPOAQPMFUADENEG-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 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran with MolForge

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Related Compounds

6-(10-naphthalen-1-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,6-b][1]benzofuran
CID 176743908
9-[10-(1,2-diphenyl-[1]benzothiolo[5,6-b][1]benzothiol-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174266350
2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 155205856
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 170249935
3-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[6,5-b][1]benzofuran
CID 176745477
6-(10-naphtho[2,3-b][1]benzofuran-2-yl-2,3-dihydroanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[4,5-b][1]benzofuran
CID 174264896
deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 161066253
18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
CID 130185578
20-(10-naphthalen-1-ylanthracen-9-yl)-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 130190396
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran
CID 176746291
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran?
The IUPAC name of 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran (CID 174264894) is 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran.
What is the SMILES notation for 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran?
The canonical SMILES for 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran is c1ccc(-c2sc3cc4oc5ccc(-c6c7ccccc7c(-c7cccc8oc9c%10ccccc%10ccc9c78)c7ccccc67)cc5c4cc3c2-c2ccccc2)cc1.
What is the InChIKey of 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran?
The InChIKey is POAQPMFUADENEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2S/c1-3-15-34(16-4-1)52-46-31-45-44-30-36(27-29-47(44)57-49(45)32-50(46)59-56(52)35-17-5-2-6-18-35)51-38-20-9-11-22-40(38)53(41-23-12-10-21-39(41)51)42-24-13-25-48-54(42)43-28-26-33-14-7-8-19-37(33)55(43)58-48/h1-32H.
What are the key properties of 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran?
6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][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 6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran is sourced from PubChem (CID 174264894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).