1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran

C274H168O6S — CID 158533281

IUPAC1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
SMILESCc1cocc1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.Cc1cscc1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1
InChIInChI=1S/2C60H36O.C52H32O.C51H32O2.C51H32OS/c1-3-21-39-37(17-1)19-13-31-41(39)55-43-23-5-9-27-47(43)57(48-28-10-6-24-44(48)55)51-33-16-36-54-59(51)53-35-15-34-52(60(53)61-54)58-49-29-11-7-25-45(49)56(46-26-8-12-30-50(46)58)42-32-14-20-38-18-2-4-22-40(38)42;1-3-17-39-35-41(33-31-37(39)15-1)55-43-19-5-9-23-47(43)57(48-24-10-6-20-44(48)55)51-27-14-30-54-59(51)53-29-13-28-52(60(53)61-54)58-49-25-11-7-21-45(49)56(46-22-8-12-26-50(46)58)42-34-32-38-16-2-4-18-40(38)36-42;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-16-32-46-51(43)45-31-15-30-44(52(45)53-46)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50;1-31-29-52-30-45(31)50-40-22-11-9-20-38(40)49(39-21-10-12-23-41(39)50)43-25-13-24-42-44-28-33(26-27-46(44)53-51(42)43)48-36-18-7-5-16-34(36)47(32-14-3-2-4-15-32)35-17-6-8-19-37(35)48;1-31-29-53-30-45(31)50-40-22-11-9-20-38(40)49(39-21-10-12-23-41(39)50)43-25-13-24-42-44-28-33(26-27-46(44)52-51(42)43)48-36-18-7-5-16-34(36)47(32-14-3-2-4-15-32)35-17-6-8-19-37(35)48/h2*1-36H;1-32H;2*2-30H,1H3
InChIKeyHNQHADKDODFVIF-UHFFFAOYSA-N
MW3588.42 g/mol
LogP79.22
Rot. Bonds20

About 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran

1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 158533281) has the molecular formula C274H168O6S and a molecular weight of 3588.42 g/mol. Its IUPAC name is 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID158533281
Molecular FormulaC274H168O6S
Molecular Weight3588.42 g/mol
Exact Mass3585.26
IUPAC Name1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
SMILESCc1cocc1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.Cc1cscc1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1
InChIInChI=1S/2C60H36O.C52H32O.C51H32O2.C51H32OS/c1-3-21-39-37(17-1)19-13-31-41(39)55-43-23-5-9-27-47(43)57(48-28-10-6-24-44(48)55)51-33-16-36-54-59(51)53-35-15-34-52(60(53)61-54)58-49-29-11-7-25-45(49)56(46-26-8-12-30-50(46)58)42-32-14-20-38-18-2-4-22-40(38)42;1-3-17-39-35-41(33-31-37(39)15-1)55-43-19-5-9-23-47(43)57(48-24-10-6-20-44(48)55)51-27-14-30-54-59(51)53-29-13-28-52(60(53)61-54)58-49-25-11-7-21-45(49)56(46-22-8-12-26-50(46)58)42-34-32-38-16-2-4-18-40(38)36-42;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-16-32-46-51(43)45-31-15-30-44(52(45)53-46)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50;1-31-29-52-30-45(31)50-40-22-11-9-20-38(40)49(39-21-10-12-23-41(39)50)43-25-13-24-42-44-28-33(26-27-46(44)53-51(42)43)48-36-18-7-5-16-34(36)47(32-14-3-2-4-15-32)35-17-6-8-19-37(35)48;1-31-29-53-30-45(31)50-40-22-11-9-20-38(40)49(39-21-10-12-23-41(39)50)43-25-13-24-42-44-28-33(26-27-46(44)52-51(42)43)48-36-18-7-5-16-34(36)47(32-14-3-2-4-15-32)35-17-6-8-19-37(35)48/h2*1-36H;1-32H;2*2-30H,1H3
InChIKeyHNQHADKDODFVIF-UHFFFAOYSA-N
XLogP79.22
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms281
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003588.42
LogP ≤ 579.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran with MolForge

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Related Compounds

9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene
CID 159984681
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158528042
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
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
8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 158036336
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165076267
5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 160537102
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 159518603

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran (CID 158533281) is 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran is Cc1cocc1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.Cc1cscc1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1.
What is the InChIKey of 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is HNQHADKDODFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H36O.C52H32O.C51H32O2.C51H32OS/c1-3-21-39-37(17-1)19-13-31-41(39)55-43-23-5-9-27-47(43)57(48-28-10-6-24-44(48)55)51-33-16-36-54-59(51)53-35-15-34-52(60(53)61-54)58-49-29-11-7-25-45(49)56(46-26-8-12-30-50(46)58)42-32-14-20-38-18-2-4-22-40(38)42;1-3-17-39-35-41(33-31-37(39)15-1)55-43-19-5-9-23-47(43)57(48-24-10-6-20-44(48)55)51-27-14-30-54-59(51)53-29-13-28-52(60(53)61-54)58-49-25-11-7-21-45(49)56(46-22-8-12-26-50(46)58)42-34-32-38-16-2-4-18-40(38)36-42;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-16-32-46-51(43)45-31-15-30-44(52(45)53-46)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50;1-31-29-52-30-45(31)50-40-22-11-9-20-38(40)49(39-21-10-12-23-41(39)50)43-25-13-24-42-44-28-33(26-27-46(44)53-51(42)43)48-36-18-7-5-16-34(36)47(32-14-3-2-4-15-32)35-17-6-8-19-37(35)48;1-31-29-53-30-45(31)50-40-22-11-9-20-38(40)49(39-21-10-12-23-41(39)50)43-25-13-24-42-44-28-33(26-27-46(44)52-51(42)43)48-36-18-7-5-16-34(36)47(32-14-3-2-4-15-32)35-17-6-8-19-37(35)48/h2*1-36H;1-32H;2*2-30H,1H3.
What are the key properties of 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 3588.42 g/mol, XLogP of 79.22, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,6-bis(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylfuran-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 158533281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).