3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole

C165H106N12S3 — CID 158779734

IUPAC3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc2c(c1)sc1ccc(C3(n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)CCCCC3)cc12
InChIInChI=1S/C58H35N5S.C54H39N3S.C53H32N4S/c1-2-14-36(15-3-1)48-35-57(60-58(59-48)37-26-31-56-47(32-37)44-20-8-13-25-55(44)64-56)63-53-29-27-38(61-49-21-9-4-16-40(49)41-17-5-10-22-50(41)61)33-45(53)46-34-39(28-30-54(46)63)62-51-23-11-6-18-42(51)43-19-7-12-24-52(43)62;1-12-30-54(31-13-1,35-24-29-53-45(32-35)42-18-6-11-23-52(42)58-53)57-50-27-25-36(55-46-19-7-2-14-38(46)39-15-3-8-20-47(39)55)33-43(50)44-34-37(26-28-51(44)57)56-48-21-9-4-16-40(48)41-17-5-10-22-49(41)56;1-6-18-45-36(12-1)37-13-2-7-19-46(37)55(45)34-25-27-49-41(31-34)42-32-35(56-47-20-8-3-14-38(47)39-15-4-9-21-48(39)56)26-28-50(42)57(49)53-23-11-17-44(54-53)33-24-29-52-43(30-33)40-16-5-10-22-51(40)58-52/h1-35H;2-11,14-29,32-34H,1,12-13,30-31H2;1-32H
InChIKeyIQXOUTZIFWMUFN-UHFFFAOYSA-N
MW2352.95 g/mol
LogP44.94
Rot. Bonds13

About 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole

3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole (PubChem CID 158779734) has the molecular formula C165H106N12S3 and a molecular weight of 2352.95 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole
PubChem CID158779734
Molecular FormulaC165H106N12S3
Molecular Weight2352.95 g/mol
Exact Mass2350.78
IUPAC Name3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc2c(c1)sc1ccc(C3(n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)CCCCC3)cc12
InChIInChI=1S/C58H35N5S.C54H39N3S.C53H32N4S/c1-2-14-36(15-3-1)48-35-57(60-58(59-48)37-26-31-56-47(32-37)44-20-8-13-25-55(44)64-56)63-53-29-27-38(61-49-21-9-4-16-40(49)41-17-5-10-22-50(41)61)33-45(53)46-34-39(28-30-54(46)63)62-51-23-11-6-18-42(51)43-19-7-12-24-52(43)62;1-12-30-54(31-13-1,35-24-29-53-45(32-35)42-18-6-11-23-52(42)58-53)57-50-27-25-36(55-46-19-7-2-14-38(46)39-15-3-8-20-47(39)55)33-43(50)44-34-37(26-28-51(44)57)56-48-21-9-4-16-40(48)41-17-5-10-22-49(41)56;1-6-18-45-36(12-1)37-13-2-7-19-46(37)55(45)34-25-27-49-41(31-34)42-32-35(56-47-20-8-3-14-38(47)39-15-4-9-21-48(39)56)26-28-50(42)57(49)53-23-11-17-44(54-53)33-24-29-52-43(30-33)40-16-5-10-22-51(40)58-52/h1-35H;2-11,14-29,32-34H,1,12-13,30-31H2;1-32H
InChIKeyIQXOUTZIFWMUFN-UHFFFAOYSA-N
XLogP44.94
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.95
LogP ≤ 544.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole with MolForge

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Related Compounds

11-(6-carbazol-9-yl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;5-(3-dibenzothiophen-2-ylphenyl)-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole;5-phenyl-11-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 160662637
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
9-dibenzothiophen-2-yl-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937323
9-(6-dibenzothiophen-2-yl-2-pyridinyl)-3,6-diphenylcarbazole
CID 132552465
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436
5,11-bis[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-phenylindolo[2,3-a]carbazole;11-(3-dibenzothiophen-2-ylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160790667
9-[8-(6-dibenzothiophen-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433743
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole
CID 157308246
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole (CID 158779734) is 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole is c1cc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc2c(c1)sc1ccc(C3(n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)CCCCC3)cc12.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole?
The InChIKey is IQXOUTZIFWMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5S.C54H39N3S.C53H32N4S/c1-2-14-36(15-3-1)48-35-57(60-58(59-48)37-26-31-56-47(32-37)44-20-8-13-25-55(44)64-56)63-53-29-27-38(61-49-21-9-4-16-40(49)41-17-5-10-22-50(41)61)33-45(53)46-34-39(28-30-54(46)63)62-51-23-11-6-18-42(51)43-19-7-12-24-52(43)62;1-12-30-54(31-13-1,35-24-29-53-45(32-35)42-18-6-11-23-52(42)58-53)57-50-27-25-36(55-46-19-7-2-14-38(46)39-15-3-8-20-47(39)55)33-43(50)44-34-37(26-28-51(44)57)56-48-21-9-4-16-40(48)41-17-5-10-22-49(41)56;1-6-18-45-36(12-1)37-13-2-7-19-46(37)55(45)34-25-27-49-41(31-34)42-32-35(56-47-20-8-3-14-38(47)39-15-4-9-21-48(39)56)26-28-50(42)57(49)53-23-11-17-44(54-53)33-24-29-52-43(30-33)40-16-5-10-22-51(40)58-52/h1-35H;2-11,14-29,32-34H,1,12-13,30-31H2;1-32H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole?
3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole has a molecular weight of 2352.95 g/mol, XLogP of 44.94, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-(1-dibenzothiophen-2-ylcyclohexyl)carbazole;3,6-di(carbazol-9-yl)-9-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)carbazole;3,6-di(carbazol-9-yl)-9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 158779734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).