2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C328H184O7S8 — CID 162050752

IUPAC2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6oc7c(-c8c9ccccc9c(-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9)c9ccccc89)cccc7c6c5)c5ccccc45)ccc3oc21.c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9c8sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9c(c8)sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9sc%10ccccc%10c9c8)c8ccccc78)cccc6c5c4)c4ccccc34)cc12.c1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9sc%10ccccc%10c89)c8ccccc78)cccc6c5c4)c4ccccc34)c12
InChIInChI=1S/C72H40O3.4C64H36OS2/c1-3-16-46-41(14-1)28-33-57-61-39-44(31-36-64(61)73-70(46)57)67-50-20-7-5-18-48(50)66(49-19-6-8-21-51(49)67)43-30-35-63-60(38-43)56-26-13-27-59(72(56)75-63)69-54-24-11-9-22-52(54)68(53-23-10-12-25-55(53)69)45-32-37-65-62(40-45)58-34-29-42-15-2-4-17-47(42)71(58)74-65;1-3-20-42-40(18-1)58(41-19-2-4-21-43(41)60(42)52-30-14-27-49-38-16-9-11-32-56(38)66-63(49)52)37-34-35-55-54(36-37)48-26-13-29-51(62(48)65-55)59-44-22-5-7-24-46(44)61(47-25-8-6-23-45(47)59)53-31-15-28-50-39-17-10-12-33-57(39)67-64(50)53;1-3-18-40-38(16-1)58(39-17-2-4-19-41(39)59(40)49-27-14-32-56-62(49)47-24-9-11-30-54(47)66-56)37-34-35-53-52(36-37)46-26-13-29-51(64(46)65-53)61-44-22-7-5-20-42(44)60(43-21-6-8-23-45(43)61)50-28-15-33-57-63(50)48-25-10-12-31-55(48)67-57;1-3-18-46-44(16-1)60(45-17-2-4-19-47(45)61(46)38-28-31-42-40-14-9-11-26-56(40)66-58(42)35-38)37-30-33-55-54(34-37)52-24-13-25-53(64(52)65-55)63-50-22-7-5-20-48(50)62(49-21-6-8-23-51(49)63)39-29-32-43-41-15-10-12-27-57(41)67-59(43)36-39;1-3-18-44-42(16-1)60(43-17-2-4-19-45(43)61(44)38-29-32-58-53(35-38)40-14-9-11-26-56(40)66-58)37-28-31-55-52(34-37)50-24-13-25-51(64(50)65-55)63-48-22-7-5-20-46(48)62(47-21-6-8-23-49(47)63)39-30-33-59-54(36-39)41-15-10-12-27-57(41)67-59/h1-40H;4*1-36H
InChIKeyYYNBTAGZTNXSCG-UHFFFAOYSA-N
MW4493.61 g/mol
LogP99.38
Rot. Bonds20

About 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 162050752) has the molecular formula C328H184O7S8 and a molecular weight of 4493.61 g/mol. Its IUPAC name is 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID162050752
Molecular FormulaC328H184O7S8
Molecular Weight4493.61 g/mol
Exact Mass4489.18
IUPAC Name2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6oc7c(-c8c9ccccc9c(-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9)c9ccccc89)cccc7c6c5)c5ccccc45)ccc3oc21.c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9c8sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9c(c8)sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9sc%10ccccc%10c9c8)c8ccccc78)cccc6c5c4)c4ccccc34)cc12.c1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9sc%10ccccc%10c89)c8ccccc78)cccc6c5c4)c4ccccc34)c12
InChIInChI=1S/C72H40O3.4C64H36OS2/c1-3-16-46-41(14-1)28-33-57-61-39-44(31-36-64(61)73-70(46)57)67-50-20-7-5-18-48(50)66(49-19-6-8-21-51(49)67)43-30-35-63-60(38-43)56-26-13-27-59(72(56)75-63)69-54-24-11-9-22-52(54)68(53-23-10-12-25-55(53)69)45-32-37-65-62(40-45)58-34-29-42-15-2-4-17-47(42)71(58)74-65;1-3-20-42-40(18-1)58(41-19-2-4-21-43(41)60(42)52-30-14-27-49-38-16-9-11-32-56(38)66-63(49)52)37-34-35-55-54(36-37)48-26-13-29-51(62(48)65-55)59-44-22-5-7-24-46(44)61(47-25-8-6-23-45(47)59)53-31-15-28-50-39-17-10-12-33-57(39)67-64(50)53;1-3-18-40-38(16-1)58(39-17-2-4-19-41(39)59(40)49-27-14-32-56-62(49)47-24-9-11-30-54(47)66-56)37-34-35-53-52(36-37)46-26-13-29-51(64(46)65-53)61-44-22-7-5-20-42(44)60(43-21-6-8-23-45(43)61)50-28-15-33-57-63(50)48-25-10-12-31-55(48)67-57;1-3-18-46-44(16-1)60(45-17-2-4-19-47(45)61(46)38-28-31-42-40-14-9-11-26-56(40)66-58(42)35-38)37-30-33-55-54(34-37)52-24-13-25-53(64(52)65-55)63-50-22-7-5-20-48(50)62(49-21-6-8-23-51(49)63)39-29-32-43-41-15-10-12-27-57(41)67-59(43)36-39;1-3-18-44-42(16-1)60(43-17-2-4-19-45(43)61(44)38-29-32-58-53(35-38)40-14-9-11-26-56(40)66-58)37-28-31-55-52(34-37)50-24-13-25-51(64(50)65-55)63-48-22-7-5-20-46(48)62(47-21-6-8-23-49(47)63)39-30-33-59-54(36-39)41-15-10-12-27-57(41)67-59/h1-40H;4*1-36H
InChIKeyYYNBTAGZTNXSCG-UHFFFAOYSA-N
XLogP99.38
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms343
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004493.61
LogP ≤ 599.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 162050752) is 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6oc7c(-c8c9ccccc9c(-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9)c9ccccc89)cccc7c6c5)c5ccccc45)ccc3oc21.c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9c8sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9c(c8)sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9sc%10ccccc%10c9c8)c8ccccc78)cccc6c5c4)c4ccccc34)cc12.c1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9sc%10ccccc%10c89)c8ccccc78)cccc6c5c4)c4ccccc34)c12.
What is the InChIKey of 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is YYNBTAGZTNXSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H40O3.4C64H36OS2/c1-3-16-46-41(14-1)28-33-57-61-39-44(31-36-64(61)73-70(46)57)67-50-20-7-5-18-48(50)66(49-19-6-8-21-51(49)67)43-30-35-63-60(38-43)56-26-13-27-59(72(56)75-63)69-54-24-11-9-22-52(54)68(53-23-10-12-25-55(53)69)45-32-37-65-62(40-45)58-34-29-42-15-2-4-17-47(42)71(58)74-65;1-3-20-42-40(18-1)58(41-19-2-4-21-43(41)60(42)52-30-14-27-49-38-16-9-11-32-56(38)66-63(49)52)37-34-35-55-54(36-37)48-26-13-29-51(62(48)65-55)59-44-22-5-7-24-46(44)61(47-25-8-6-23-45(47)59)53-31-15-28-50-39-17-10-12-33-57(39)67-64(50)53;1-3-18-40-38(16-1)58(39-17-2-4-19-41(39)59(40)49-27-14-32-56-62(49)47-24-9-11-30-54(47)66-56)37-34-35-53-52(36-37)46-26-13-29-51(64(46)65-53)61-44-22-7-5-20-42(44)60(43-21-6-8-23-45(43)61)50-28-15-33-57-63(50)48-25-10-12-31-55(48)67-57;1-3-18-46-44(16-1)60(45-17-2-4-19-47(45)61(46)38-28-31-42-40-14-9-11-26-56(40)66-58(42)35-38)37-30-33-55-54(34-37)52-24-13-25-53(64(52)65-55)63-50-22-7-5-20-48(50)62(49-21-6-8-23-51(49)63)39-29-32-43-41-15-10-12-27-57(41)67-59(43)36-39;1-3-18-44-42(16-1)60(43-17-2-4-19-45(43)61(44)38-29-32-58-53(35-38)40-14-9-11-26-56(40)66-58)37-28-31-55-52(34-37)50-24-13-25-51(64(50)65-55)63-48-22-7-5-20-46(48)62(47-21-6-8-23-49(47)63)39-30-33-59-54(36-39)41-15-10-12-27-57(41)67-59/h1-40H;4*1-36H.
What are the key properties of 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 4493.61 g/mol, XLogP of 99.38, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 162050752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).