9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole

C202H206N12 — CID 157376178

IUPAC9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3ccc(C(C)(C)C)cn3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)nc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3cccnc3)c2c1.Cc1ccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3ccc(C)cn3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)nc1
InChIInChI=1S/C72H78N4.C66H66N4.C64H62N4/c1-67(2,3)43-21-31-61-53(35-43)54-36-44(68(4,5)6)22-32-62(54)75(61)49-25-27-51-57(39-49)65(59-29-19-47(41-73-59)71(13,14)15)52-28-26-50(40-58(52)66(51)60-30-20-48(42-74-60)72(16,17)18)76-63-33-23-45(69(7,8)9)37-55(63)56-38-46(70(10,11)12)24-34-64(56)76;1-39-15-25-55(67-37-39)61-47-23-21-46(70-59-29-19-43(65(9,10)11)33-51(59)52-34-44(66(12,13)14)20-30-60(52)70)36-54(47)62(56-26-16-40(2)38-68-56)48-24-22-45(35-53(48)61)69-57-27-17-41(63(3,4)5)31-49(57)50-32-42(64(6,7)8)18-28-58(50)69;1-61(2,3)41-17-25-55-49(31-41)50-32-42(62(4,5)6)18-26-56(50)67(55)45-21-23-47-53(35-45)59(39-15-13-29-65-37-39)48-24-22-46(36-54(48)60(47)40-16-14-30-66-38-40)68-57-27-19-43(63(7,8)9)33-51(57)52-34-44(64(10,11)12)20-28-58(52)68/h19-42H,1-18H3;15-38H,1-14H3;13-38H,1-12H3
InChIKeyBKIVBWGVTKJLCV-UHFFFAOYSA-N
MW2801.95 g/mol
LogP55.72
Rot. Bonds12

About 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole

9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole (PubChem CID 157376178) has the molecular formula C202H206N12 and a molecular weight of 2801.95 g/mol. Its IUPAC name is 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
PubChem CID157376178
Molecular FormulaC202H206N12
Molecular Weight2801.95 g/mol
Exact Mass2799.65
IUPAC Name9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3ccc(C(C)(C)C)cn3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)nc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3cccnc3)c2c1.Cc1ccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3ccc(C)cn3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)nc1
InChIInChI=1S/C72H78N4.C66H66N4.C64H62N4/c1-67(2,3)43-21-31-61-53(35-43)54-36-44(68(4,5)6)22-32-62(54)75(61)49-25-27-51-57(39-49)65(59-29-19-47(41-73-59)71(13,14)15)52-28-26-50(40-58(52)66(51)60-30-20-48(42-74-60)72(16,17)18)76-63-33-23-45(69(7,8)9)37-55(63)56-38-46(70(10,11)12)24-34-64(56)76;1-39-15-25-55(67-37-39)61-47-23-21-46(70-59-29-19-43(65(9,10)11)33-51(59)52-34-44(66(12,13)14)20-30-60(52)70)36-54(47)62(56-26-16-40(2)38-68-56)48-24-22-45(35-53(48)61)69-57-27-17-41(63(3,4)5)31-49(57)50-32-42(64(6,7)8)18-28-58(50)69;1-61(2,3)41-17-25-55-49(31-41)50-32-42(62(4,5)6)18-26-56(50)67(55)45-21-23-47-53(35-45)59(39-15-13-29-65-37-39)48-24-22-46(36-54(48)60(47)40-16-14-30-66-38-40)68-57-27-19-43(63(7,8)9)33-51(57)52-34-44(64(10,11)12)20-28-58(52)68/h19-42H,1-18H3;15-38H,1-14H3;13-38H,1-12H3
InChIKeyBKIVBWGVTKJLCV-UHFFFAOYSA-N
XLogP55.72
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002801.95
LogP ≤ 555.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole with MolForge

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Related Compounds

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CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
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Ru(II)(phen)2(phen-cyclam-2H+)
CID 16683894
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
9,21-Dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene
CID 146408812
9-[6-(3,6-Difluorocarbazol-9-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-difluorocarbazole
CID 59357109
9-[6-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357111
9-[6-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357140
9-[6-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357152

Frequently Asked Questions

What is the IUPAC name of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole?
The IUPAC name of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole (CID 157376178) is 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole.
What is the SMILES notation for 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole?
The canonical SMILES for 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole is CC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3ccc(C(C)(C)C)cn3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)nc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3cccnc3)c2c1.Cc1ccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3ccc(C)cn3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)nc1.
What is the InChIKey of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole?
The InChIKey is BKIVBWGVTKJLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H78N4.C66H66N4.C64H62N4/c1-67(2,3)43-21-31-61-53(35-43)54-36-44(68(4,5)6)22-32-62(54)75(61)49-25-27-51-57(39-49)65(59-29-19-47(41-73-59)71(13,14)15)52-28-26-50(40-58(52)66(51)60-30-20-48(42-74-60)72(16,17)18)76-63-33-23-45(69(7,8)9)37-55(63)56-38-46(70(10,11)12)24-34-64(56)76;1-39-15-25-55(67-37-39)61-47-23-21-46(70-59-29-19-43(65(9,10)11)33-51(59)52-34-44(66(12,13)14)20-30-60(52)70)36-54(47)62(56-26-16-40(2)38-68-56)48-24-22-45(35-53(48)61)69-57-27-17-41(63(3,4)5)31-49(57)50-32-42(64(6,7)8)18-28-58(50)69;1-61(2,3)41-17-25-55-49(31-41)50-32-42(62(4,5)6)18-26-56(50)67(55)45-21-23-47-53(35-45)59(39-15-13-29-65-37-39)48-24-22-46(36-54(48)60(47)40-16-14-30-66-38-40)68-57-27-19-43(63(7,8)9)33-51(57)52-34-44(64(10,11)12)20-28-58(52)68/h19-42H,1-18H3;15-38H,1-14H3;13-38H,1-12H3.
What are the key properties of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole?
9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole has a molecular weight of 2801.95 g/mol, XLogP of 55.72, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole is sourced from PubChem (CID 157376178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).