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

C56H34O2S — CID 174264896

IUPAC6-(10-naphtho[2,3-b][1]benzofuran-2-yl-2,3-dihydroanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[4,5-b][1]benzofuran
SMILESC1=c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc3c(-c3cccc4oc5c(ccc6sc(-c7ccccc7)c(-c7ccccc7)c65)c34)c2=CCC1
InChIInChI=1S/C56H34O2S/c1-3-14-33(15-4-1)51-54-49(59-56(51)34-16-5-2-6-17-34)29-27-43-53-42(24-13-25-47(53)58-55(43)54)52-40-22-11-9-20-38(40)50(39-21-10-12-23-41(39)52)37-26-28-46-44(31-37)45-30-35-18-7-8-19-36(35)32-48(45)57-46/h1-9,11,13-32H,10,12H2
InChIKeyQXQMVWHWGKMUHK-UHFFFAOYSA-N
MW770.95 g/mol
LogP15.03
Rot. Bonds4

About 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

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 (PubChem CID 174264896) has the molecular formula C56H34O2S and a molecular weight of 770.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(10-naphtho[2,3-b][1]benzofuran-2-yl-2,3-dihydroanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[4,5-b][1]benzofuran
PubChem CID174264896
Molecular FormulaC56H34O2S
Molecular Weight770.95 g/mol
Exact Mass770.23
IUPAC Name6-(10-naphtho[2,3-b][1]benzofuran-2-yl-2,3-dihydroanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[4,5-b][1]benzofuran
SMILESC1=c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc3c(-c3cccc4oc5c(ccc6sc(-c7ccccc7)c(-c7ccccc7)c65)c34)c2=CCC1
InChIInChI=1S/C56H34O2S/c1-3-14-33(15-4-1)51-54-49(59-56(51)34-16-5-2-6-17-34)29-27-43-53-42(24-13-25-47(53)58-55(43)54)52-40-22-11-9-20-38(40)50(39-21-10-12-23-41(39)52)37-26-28-46-44(31-37)45-30-35-18-7-8-19-36(35)32-48(45)57-46/h1-9,11,13-32H,10,12H2
InChIKeyQXQMVWHWGKMUHK-UHFFFAOYSA-N
XLogP15.03
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.95
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran
CID 174264894
6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212306
2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 155205856
7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran
CID 176746291
1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 159387963
20-[3-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)phenyl]-16-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 130212799
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
6-(10-naphthalen-1-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,6-b][1]benzofuran
CID 176743908
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 160746468
7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene
CID 130190401
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[5,4-b][1]benzofuran
CID 176743747
2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran
CID 158442186

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc3c(-c3cccc4oc5c(ccc6sc(-c7ccccc7)c(-c7ccccc7)c65)c34)c2=CCC1.
What is the InChIKey of 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?
The InChIKey is QXQMVWHWGKMUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O2S/c1-3-14-33(15-4-1)51-54-49(59-56(51)34-16-5-2-6-17-34)29-27-43-53-42(24-13-25-47(53)58-55(43)54)52-40-22-11-9-20-38(40)50(39-21-10-12-23-41(39)52)37-26-28-46-44(31-37)45-30-35-18-7-8-19-36(35)32-48(45)57-46/h1-9,11,13-32H,10,12H2.
What are the key properties of 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?
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 has a molecular weight of 770.95 g/mol, XLogP of 15.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174264896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).