9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole

C192H124N10OS — CID 158784390

IUPAC9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5csc6ccccc56)c4)ccc32)cc1.c1ccc(-n2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc32)cc1
InChIInChI=1S/C68H44N4.C62H41N3O.C62H39N3S/c1-4-18-50(19-5-1)69-44-61(56-27-10-13-28-62(56)69)49-17-16-24-53(39-49)72-67-37-33-47(45-31-35-65-57(40-45)54-25-11-14-29-63(54)70(65)51-20-6-2-7-21-51)42-59(67)60-43-48(34-38-68(60)72)46-32-36-66-58(41-46)55-26-12-15-30-64(55)71(66)52-22-8-3-9-23-52;1-38-17-24-55-48(31-38)50-33-40(19-26-57(50)63(55)44-11-5-3-6-12-44)42-21-28-59-52(35-42)53-36-43(22-29-60(53)65(59)46-23-30-62-54(37-46)47-15-9-10-16-61(47)66-62)41-20-27-58-51(34-41)49-32-39(2)18-25-56(49)64(58)45-13-7-4-8-14-45;1-3-15-45(16-4-1)63-56-23-10-7-20-48(56)51-35-40(26-30-58(51)63)42-28-32-60-53(37-42)54-38-43(41-27-31-59-52(36-41)49-21-8-11-24-57(49)64(59)46-17-5-2-6-18-46)29-33-61(54)65(60)47-19-13-14-44(34-47)55-39-66-62-25-12-9-22-50(55)62/h1-44H;3-37H,1-2H3;1-39H
InChIKeyIRMKGXTTZOHBMW-UHFFFAOYSA-N
MW2619.24 g/mol
LogP51.94
Rot. Bonds18

About 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole

9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole (PubChem CID 158784390) has the molecular formula C192H124N10OS and a molecular weight of 2619.24 g/mol. Its IUPAC name is 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole
PubChem CID158784390
Molecular FormulaC192H124N10OS
Molecular Weight2619.24 g/mol
Exact Mass2616.97
IUPAC Name9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5csc6ccccc56)c4)ccc32)cc1.c1ccc(-n2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc32)cc1
InChIInChI=1S/C68H44N4.C62H41N3O.C62H39N3S/c1-4-18-50(19-5-1)69-44-61(56-27-10-13-28-62(56)69)49-17-16-24-53(39-49)72-67-37-33-47(45-31-35-65-57(40-45)54-25-11-14-29-63(54)70(65)51-20-6-2-7-21-51)42-59(67)60-43-48(34-38-68(60)72)46-32-36-66-58(41-46)55-26-12-15-30-64(55)71(66)52-22-8-3-9-23-52;1-38-17-24-55-48(31-38)50-33-40(19-26-57(50)63(55)44-11-5-3-6-12-44)42-21-28-59-52(35-42)53-36-43(22-29-60(53)65(59)46-23-30-62-54(37-46)47-15-9-10-16-61(47)66-62)41-20-27-58-51(34-41)49-32-39(2)18-25-56(49)64(58)45-13-7-4-8-14-45;1-3-15-45(16-4-1)63-56-23-10-7-20-48(56)51-35-40(26-30-58(51)63)42-28-32-60-53(37-42)54-38-43(41-27-31-59-52(36-41)49-21-8-11-24-57(49)64(59)46-17-5-2-6-18-46)29-33-61(54)65(60)47-19-13-14-44(34-47)55-39-66-62-25-12-9-22-50(55)62/h1-44H;3-37H,1-2H3;1-39H
InChIKeyIRMKGXTTZOHBMW-UHFFFAOYSA-N
XLogP51.94
TPSA62.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002619.24
LogP ≤ 551.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
The IUPAC name of 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole (CID 158784390) is 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole.
What is the SMILES notation for 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
The canonical SMILES for 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole is Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5csc6ccccc56)c4)ccc32)cc1.c1ccc(-n2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc32)cc1.
What is the InChIKey of 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
The InChIKey is IRMKGXTTZOHBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4.C62H41N3O.C62H39N3S/c1-4-18-50(19-5-1)69-44-61(56-27-10-13-28-62(56)69)49-17-16-24-53(39-49)72-67-37-33-47(45-31-35-65-57(40-45)54-25-11-14-29-63(54)70(65)51-20-6-2-7-21-51)42-59(67)60-43-48(34-38-68(60)72)46-32-36-66-58(41-46)55-26-12-15-30-64(55)71(66)52-22-8-3-9-23-52;1-38-17-24-55-48(31-38)50-33-40(19-26-57(50)63(55)44-11-5-3-6-12-44)42-21-28-59-52(35-42)53-36-43(22-29-60(53)65(59)46-23-30-62-54(37-46)47-15-9-10-16-61(47)66-62)41-20-27-58-51(34-41)49-32-39(2)18-25-56(49)64(58)45-13-7-4-8-14-45;1-3-15-45(16-4-1)63-56-23-10-7-20-48(56)51-35-40(26-30-58(51)63)42-28-32-60-53(37-42)54-38-43(41-27-31-59-52(36-41)49-21-8-11-24-57(49)64(59)46-17-5-2-6-18-46)29-33-61(54)65(60)47-19-13-14-44(34-47)55-39-66-62-25-12-9-22-50(55)62/h1-44H;3-37H,1-2H3;1-39H.
What are the key properties of 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole has a molecular weight of 2619.24 g/mol, XLogP of 51.94, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole is sourced from PubChem (CID 158784390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).