3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole

C188H111N15O3S2 — CID 157231058

IUPAC3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole
SMILESc1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cncnc7)c6)c5)c5oc6ccc(-c7ccc8sc9ccccc9c8c7)cc6c45)c4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncnc2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3cc(-n4c5ccc(-c6ccccn6)cc5c5cc(-c6ccccn6)ccc54)cc4c3oc3ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc34)c2)nc1
InChIInChI=1S/C104H60N6O2S2.C84H51N9O/c1-5-25-91-79(21-1)85-49-67(29-39-93(85)109(91)75-55-105-59-106-56-75)63-15-9-13-61(45-63)65-17-11-19-73(47-65)77-35-37-83(101-89-53-69(31-41-95(89)111-103(77)101)71-33-43-99-87(51-71)81-23-3-7-27-97(81)113-99)84-38-36-78(104-102(84)90-54-70(32-42-96(90)112-104)72-34-44-100-88(52-72)82-24-4-8-28-98(82)114-100)74-20-12-18-66(48-74)62-14-10-16-64(46-62)68-30-40-94-86(50-68)80-22-2-6-26-92(80)110(94)76-57-107-60-108-58-76;1-7-36-85-71(16-1)53-22-29-77-63(43-53)64-44-54(72-17-2-8-37-86-72)23-30-78(64)91(77)59-15-13-14-52(42-59)62-50-61(93-81-33-26-57(75-20-5-11-40-89-75)47-67(81)68-48-58(27-34-82(68)93)76-21-6-12-41-90-76)51-70-69-49-60(28-35-83(69)94-84(62)70)92-79-31-24-55(73-18-3-9-38-87-73)45-65(79)66-46-56(25-32-80(66)92)74-19-4-10-39-88-74/h1-60H;1-51H
InChIKeyAUCJGHCAODAXRJ-UHFFFAOYSA-N
MW2692.19 g/mol
LogP49.91
Rot. Bonds21

About 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole

3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole (PubChem CID 157231058) has the molecular formula C188H111N15O3S2 and a molecular weight of 2692.19 g/mol. Its IUPAC name is 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole
PubChem CID157231058
Molecular FormulaC188H111N15O3S2
Molecular Weight2692.19 g/mol
Exact Mass2689.84
IUPAC Name3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole
SMILESc1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cncnc7)c6)c5)c5oc6ccc(-c7ccc8sc9ccccc9c8c7)cc6c45)c4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncnc2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3cc(-n4c5ccc(-c6ccccn6)cc5c5cc(-c6ccccn6)ccc54)cc4c3oc3ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc34)c2)nc1
InChIInChI=1S/C104H60N6O2S2.C84H51N9O/c1-5-25-91-79(21-1)85-49-67(29-39-93(85)109(91)75-55-105-59-106-56-75)63-15-9-13-61(45-63)65-17-11-19-73(47-65)77-35-37-83(101-89-53-69(31-41-95(89)111-103(77)101)71-33-43-99-87(51-71)81-23-3-7-27-97(81)113-99)84-38-36-78(104-102(84)90-54-70(32-42-96(90)112-104)72-34-44-100-88(52-72)82-24-4-8-28-98(82)114-100)74-20-12-18-66(48-74)62-14-10-16-64(46-62)68-30-40-94-86(50-68)80-22-2-6-26-92(80)110(94)76-57-107-60-108-58-76;1-7-36-85-71(16-1)53-22-29-77-63(43-53)64-44-54(72-17-2-8-37-86-72)23-30-78(64)91(77)59-15-13-14-52(42-59)62-50-61(93-81-33-26-57(75-20-5-11-40-89-75)47-67(81)68-48-58(27-34-82(68)93)76-21-6-12-41-90-76)51-70-69-49-60(28-35-83(69)94-84(62)70)92-79-31-24-55(73-18-3-9-38-87-73)45-65(79)66-46-56(25-32-80(66)92)74-19-4-10-39-88-74/h1-60H;1-51H
InChIKeyAUCJGHCAODAXRJ-UHFFFAOYSA-N
XLogP49.91
TPSA192.97 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002692.19
LogP ≤ 549.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
The IUPAC name of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole (CID 157231058) is 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole.
What is the SMILES notation for 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
The canonical SMILES for 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole is c1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cncnc7)c6)c5)c5oc6ccc(-c7ccc8sc9ccccc9c8c7)cc6c45)c4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncnc2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3cc(-n4c5ccc(-c6ccccn6)cc5c5cc(-c6ccccn6)ccc54)cc4c3oc3ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc34)c2)nc1.
What is the InChIKey of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
The InChIKey is AUCJGHCAODAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H60N6O2S2.C84H51N9O/c1-5-25-91-79(21-1)85-49-67(29-39-93(85)109(91)75-55-105-59-106-56-75)63-15-9-13-61(45-63)65-17-11-19-73(47-65)77-35-37-83(101-89-53-69(31-41-95(89)111-103(77)101)71-33-43-99-87(51-71)81-23-3-7-27-97(81)113-99)84-38-36-78(104-102(84)90-54-70(32-42-96(90)112-104)72-34-44-100-88(52-72)82-24-4-8-28-98(82)114-100)74-20-12-18-66(48-74)62-14-10-16-64(46-62)68-30-40-94-86(50-68)80-22-2-6-26-92(80)110(94)76-57-107-60-108-58-76;1-7-36-85-71(16-1)53-22-29-77-63(43-53)64-44-54(72-17-2-8-37-86-72)23-30-78(64)91(77)59-15-13-14-52(42-59)62-50-61(93-81-33-26-57(75-20-5-11-40-89-75)47-67(81)68-48-58(27-34-82(68)93)76-21-6-12-41-90-76)51-70-69-49-60(28-35-83(69)94-84(62)70)92-79-31-24-55(73-18-3-9-38-87-73)45-65(79)66-46-56(25-32-80(66)92)74-19-4-10-39-88-74/h1-60H;1-51H.
What are the key properties of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole has a molecular weight of 2692.19 g/mol, XLogP of 49.91, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole is sourced from PubChem (CID 157231058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).