4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran

C46H26O2S — CID 176745848

IUPAC4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
SMILESc1ccc(-c2cc3c(o2)c(-c2c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc24)cc2c4ccccc4oc32)cc1
InChIInChI=1S/C46H26O2S/c1-2-13-27(14-3-1)39-26-37-45-35(28-15-8-10-22-38(28)47-45)25-36(46(37)48-39)43-31-18-6-4-16-29(31)42(30-17-5-7-19-32(30)43)34-21-12-24-41-44(34)33-20-9-11-23-40(33)49-41/h1-26H
InChIKeyQOEUNWWOAJOMQB-UHFFFAOYSA-N
MW642.78 g/mol
LogP14.01
Rot. Bonds3

About 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran

4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran (PubChem CID 176745848) has the molecular formula C46H26O2S and a molecular weight of 642.78 g/mol. Its IUPAC name is 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran.

Molecular Properties

Compound Name4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
PubChem CID176745848
Molecular FormulaC46H26O2S
Molecular Weight642.78 g/mol
Exact Mass642.17
IUPAC Name4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
SMILESc1ccc(-c2cc3c(o2)c(-c2c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc24)cc2c4ccccc4oc32)cc1
InChIInChI=1S/C46H26O2S/c1-2-13-27(14-3-1)39-26-37-45-35(28-15-8-10-22-38(28)47-45)25-36(46(37)48-39)43-31-18-6-4-16-29(31)42(30-17-5-7-19-32(30)43)34-21-12-24-41-44(34)33-20-9-11-23-40(33)49-41/h1-26H
InChIKeyQOEUNWWOAJOMQB-UHFFFAOYSA-N
XLogP14.01
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.78
LogP ≤ 514.01
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

4-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745684
2-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176744690
16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185868
4-(10-naphthalen-1-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[2,3-e][1]benzofuran
CID 176746316
4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran
CID 174307459
2-dibenzothiophen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853629
2-(2-dibenzofuran-4-yl-6-dibenzothiophen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402570
8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 122426064
5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran
CID 176744159
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
N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 170666068
4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176744232

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran?
The IUPAC name of 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran (CID 176745848) is 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran.
What is the SMILES notation for 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran?
The canonical SMILES for 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran is c1ccc(-c2cc3c(o2)c(-c2c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc24)cc2c4ccccc4oc32)cc1.
What is the InChIKey of 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran?
The InChIKey is QOEUNWWOAJOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O2S/c1-2-13-27(14-3-1)39-26-37-45-35(28-15-8-10-22-38(28)47-45)25-36(46(37)48-39)43-31-18-6-4-16-29(31)42(30-17-5-7-19-32(30)43)34-21-12-24-41-44(34)33-20-9-11-23-40(33)49-41/h1-26H.
What are the key properties of 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran?
4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran has a molecular weight of 642.78 g/mol, XLogP of 14.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran is sourced from PubChem (CID 176745848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).