5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole

C184H158N10OS — CID 162231255

IUPAC5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C92H79N5O.C92H79N5S/c2*1-89(2,3)59-47-56(48-60(53-59)90(4,5)6)74-55-75(57-49-61(91(7,8)9)54-62(50-57)92(10,11)12)94-88(93-74)58-51-72(67-33-17-25-41-80(67)95-76-37-21-13-29-63(76)64-30-14-22-38-77(64)95)86(97-82-43-27-19-36-71(82)85-83(97)46-45-70-69-35-20-28-44-84(69)98-87(70)85)73(52-58)68-34-18-26-42-81(68)96-78-39-23-15-31-65(78)66-32-16-24-40-79(66)96/h2*13-55H,1-12H3
InChIKeyZVLORXAVUOBOJD-UHFFFAOYSA-N
MW2557.42 g/mol
LogP50.85
Rot. Bonds16

About 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole

5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 162231255) has the molecular formula C184H158N10OS and a molecular weight of 2557.42 g/mol. Its IUPAC name is 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID162231255
Molecular FormulaC184H158N10OS
Molecular Weight2557.42 g/mol
Exact Mass2555.23
IUPAC Name5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C92H79N5O.C92H79N5S/c2*1-89(2,3)59-47-56(48-60(53-59)90(4,5)6)74-55-75(57-49-61(91(7,8)9)54-62(50-57)92(10,11)12)94-88(93-74)58-51-72(67-33-17-25-41-80(67)95-76-37-21-13-29-63(76)64-30-14-22-38-77(64)95)86(97-82-43-27-19-36-71(82)85-83(97)46-45-70-69-35-20-28-44-84(69)98-87(70)85)73(52-58)68-34-18-26-42-81(68)96-78-39-23-15-31-65(78)66-32-16-24-40-79(66)96/h2*13-55H,1-12H3
InChIKeyZVLORXAVUOBOJD-UHFFFAOYSA-N
XLogP50.85
TPSA94.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002557.42
LogP ≤ 550.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155636719
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155636680
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-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;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenyl]carbazole
CID 160601837
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzonitrile
CID 139496085
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 159351884
3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)-3-(3-isocyanophenyl)phenyl]benzonitrile;3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)-3-(3-isocyanophenyl)phenyl]benzonitrile;3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)-3-(3-isocyanophenyl)phenyl]benzonitrile
CID 159731201
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 159746614
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole
CID 160894283
5-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 118154172
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 153432339

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 162231255) is 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ZVLORXAVUOBOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H79N5O.C92H79N5S/c2*1-89(2,3)59-47-56(48-60(53-59)90(4,5)6)74-55-75(57-49-61(91(7,8)9)54-62(50-57)92(10,11)12)94-88(93-74)58-51-72(67-33-17-25-41-80(67)95-76-37-21-13-29-63(76)64-30-14-22-38-77(64)95)86(97-82-43-27-19-36-71(82)85-83(97)46-45-70-69-35-20-28-44-84(69)98-87(70)85)73(52-58)68-34-18-26-42-81(68)96-78-39-23-15-31-65(78)66-32-16-24-40-79(66)96/h2*13-55H,1-12H3.
What are the key properties of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 2557.42 g/mol, XLogP of 50.85, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 162231255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).