10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran

C56H32O2S — CID 174254716

IUPAC10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
SMILESc1ccc(-c2c(-c3ccc4ccccc4c3)oc3c(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)c4oc5ccccc5c4cc23)cc1
InChIInChI=1S/C56H32O2S/c1-2-15-34(16-3-1)51-46-32-45-38-18-10-12-24-47(38)57-55(45)53(56(46)58-54(51)37-27-26-33-14-4-5-17-35(33)30-37)52-43-22-8-6-20-41(43)50(42-21-7-9-23-44(42)52)36-28-29-40-39-19-11-13-25-48(39)59-49(40)31-36/h1-32H
InChIKeyQSTNLEQIXPOJGD-UHFFFAOYSA-N
MW768.94 g/mol
LogP16.83
Rot. Bonds4

About 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran

10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran (PubChem CID 174254716) has the molecular formula C56H32O2S and a molecular weight of 768.94 g/mol. Its IUPAC name is 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran.

Molecular Properties

Compound Name10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
PubChem CID174254716
Molecular FormulaC56H32O2S
Molecular Weight768.94 g/mol
Exact Mass768.21
IUPAC Name10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
SMILESc1ccc(-c2c(-c3ccc4ccccc4c3)oc3c(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)c4oc5ccccc5c4cc23)cc1
InChIInChI=1S/C56H32O2S/c1-2-15-34(16-3-1)51-46-32-45-38-18-10-12-24-47(38)57-55(45)53(56(46)58-54(51)37-27-26-33-14-4-5-17-35(33)30-37)52-43-22-8-6-20-41(43)50(42-21-7-9-23-44(42)52)36-28-29-40-39-19-11-13-25-48(39)59-49(40)31-36/h1-32H
InChIKeyQSTNLEQIXPOJGD-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'}

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Related Compounds

12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 134487879
2-(10-dibenzothiophen-3-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176746333
3-(8-dibenzothiophen-3-yl-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracen-13-yl)dibenzothiophene
CID 89178110
7-(10-naphthalen-2-ylanthracen-9-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122415909
10-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176743671
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427036
12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 163540975
18-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 152818654
3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
CID 134487576
12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568808
6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568966
6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777632

Frequently Asked Questions

What is the IUPAC name of 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran?
The IUPAC name of 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran (CID 174254716) is 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran.
What is the SMILES notation for 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran?
The canonical SMILES for 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran is c1ccc(-c2c(-c3ccc4ccccc4c3)oc3c(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)c4oc5ccccc5c4cc23)cc1.
What is the InChIKey of 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran?
The InChIKey is QSTNLEQIXPOJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2S/c1-2-15-34(16-3-1)51-46-32-45-38-18-10-12-24-47(38)57-55(45)53(56(46)58-54(51)37-27-26-33-14-4-5-17-35(33)30-37)52-43-22-8-6-20-41(43)50(42-21-7-9-23-44(42)52)36-28-29-40-39-19-11-13-25-48(39)59-49(40)31-36/h1-32H.
What are the key properties of 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran?
10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[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 10-(10-dibenzothiophen-3-ylanthracen-9-yl)-2-naphthalen-2-yl-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran is sourced from PubChem (CID 174254716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).