1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran

C48H28O2S — CID 166706189

IUPAC1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran
SMILESc1coc(-c2c3ccccc3c(-c3cccc4oc5ccc(-c6c7ccccc7c(-c7cccs7)c7ccccc67)cc5c34)c3ccccc23)c1
InChIInChI=1S/C48H28O2S/c1-7-18-36-30(12-1)44(31-13-2-8-19-37(31)48(36)43-23-11-27-51-43)29-24-25-40-39(28-29)47-38(20-9-21-42(47)50-40)45-32-14-3-5-16-34(32)46(41-22-10-26-49-41)35-17-6-4-15-33(35)45/h1-28H
InChIKeyHDCMFOWBNMNTRQ-UHFFFAOYSA-N
MW668.82 g/mol
LogP14.52
Rot. Bonds4

About 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran

1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran (PubChem CID 166706189) has the molecular formula C48H28O2S and a molecular weight of 668.82 g/mol. Its IUPAC name is 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran
PubChem CID166706189
Molecular FormulaC48H28O2S
Molecular Weight668.82 g/mol
Exact Mass668.18
IUPAC Name1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran
SMILESc1coc(-c2c3ccccc3c(-c3cccc4oc5ccc(-c6c7ccccc7c(-c7cccs7)c7ccccc67)cc5c34)c3ccccc23)c1
InChIInChI=1S/C48H28O2S/c1-7-18-36-30(12-1)44(31-13-2-8-19-37(31)48(36)43-23-11-27-51-43)29-24-25-40-39(28-29)47-38(20-9-21-42(47)50-40)45-32-14-3-5-16-34(32)46(41-22-10-26-49-41)35-17-6-4-15-33(35)45/h1-28H
InChIKeyHDCMFOWBNMNTRQ-UHFFFAOYSA-N
XLogP14.52
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.82
LogP ≤ 514.52
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

8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
CID 157493186
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 161049408
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
8-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170663275
5-(10-dibenzothiophen-1-ylanthracen-9-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314455
8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran
CID 166706186
5-[10-[2-(1-benzofuran-7-yl)phenyl]anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170212467
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301

Frequently Asked Questions

What is the IUPAC name of 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran (CID 166706189) is 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran is c1coc(-c2c3ccccc3c(-c3cccc4oc5ccc(-c6c7ccccc7c(-c7cccs7)c7ccccc67)cc5c34)c3ccccc23)c1.
What is the InChIKey of 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran?
The InChIKey is HDCMFOWBNMNTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2S/c1-7-18-36-30(12-1)44(31-13-2-8-19-37(31)48(36)43-23-11-27-51-43)29-24-25-40-39(28-29)47-38(20-9-21-42(47)50-40)45-32-14-3-5-16-34(32)46(41-22-10-26-49-41)35-17-6-4-15-33(35)45/h1-28H.
What are the key properties of 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran?
1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran has a molecular weight of 668.82 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 166706189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).