3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C114H76N8OS — CID 160557560

IUPAC3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)ccc32)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)ccc43)cc2)cc1
InChIInChI=1S/C58H36N4S.C56H40N4O/c1-2-12-37(13-3-1)38-24-28-43(29-25-38)61-52-21-7-4-16-45(52)49-35-39(26-30-54(49)61)40-27-31-55-50(36-40)46-17-5-8-22-53(46)62(55)58-59-33-32-51(60-58)42-15-10-14-41(34-42)44-19-11-20-48-47-18-6-9-23-56(47)63-57(44)48;1-56(2,3)39-24-26-40(27-25-39)59-49-19-7-4-14-42(49)46-33-35(22-28-51(46)59)36-23-29-52-47(34-36)43-15-5-8-20-50(43)60(52)55-57-31-30-48(58-55)38-13-10-12-37(32-38)41-17-11-18-45-44-16-6-9-21-53(44)61-54(41)45/h1-36H;4-34H,1-3H3
InChIKeyQYWPPXITHIMBHI-UHFFFAOYSA-N
MW1605.98 g/mol
LogP30.58
Rot. Bonds11

About 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 160557560) has the molecular formula C114H76N8OS and a molecular weight of 1605.98 g/mol. Its IUPAC name is 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID160557560
Molecular FormulaC114H76N8OS
Molecular Weight1605.98 g/mol
Exact Mass1604.59
IUPAC Name3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)ccc32)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)ccc43)cc2)cc1
InChIInChI=1S/C58H36N4S.C56H40N4O/c1-2-12-37(13-3-1)38-24-28-43(29-25-38)61-52-21-7-4-16-45(52)49-35-39(26-30-54(49)61)40-27-31-55-50(36-40)46-17-5-8-22-53(46)62(55)58-59-33-32-51(60-58)42-15-10-14-41(34-42)44-19-11-20-48-47-18-6-9-23-56(47)63-57(44)48;1-56(2,3)39-24-26-40(27-25-39)59-49-19-7-4-14-42(49)46-33-35(22-28-51(46)59)36-23-29-52-47(34-36)43-15-5-8-20-50(43)60(52)55-57-31-30-48(58-55)38-13-10-12-37(32-38)41-17-11-18-45-44-16-6-9-21-53(44)61-54(41)45/h1-36H;4-34H,1-3H3
InChIKeyQYWPPXITHIMBHI-UHFFFAOYSA-N
XLogP30.58
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001605.98
LogP ≤ 530.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole with MolForge

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Related Compounds

3-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158689854
2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 162006588
9-[4-(3-carbazol-9-ylphenyl)-6-[3-[3-[4-[2-(3-dibenzothiophen-4-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 163835526
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903
3-(3-dibenzofuran-2-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 161059365
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole
CID 159055831
2-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-[6-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]carbazole
CID 158777539
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186
9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole
CID 70847787
3,9-diphenyl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]carbazole;3-[9-[5-[4-(2-methyl-4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(8-phenyldibenzofuran-4-yl)pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(8-phenyldibenzothiophen-4-yl)pyrimidin-2-yl]carbazole
CID 157440070

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 160557560) is 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)ccc32)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is QYWPPXITHIMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4S.C56H40N4O/c1-2-12-37(13-3-1)38-24-28-43(29-25-38)61-52-21-7-4-16-45(52)49-35-39(26-30-54(49)61)40-27-31-55-50(36-40)46-17-5-8-22-53(46)62(55)58-59-33-32-51(60-58)42-15-10-14-41(34-42)44-19-11-20-48-47-18-6-9-23-56(47)63-57(44)48;1-56(2,3)39-24-26-40(27-25-39)59-49-19-7-4-14-42(49)46-33-35(22-28-51(46)59)36-23-29-52-47(34-36)43-15-5-8-20-50(43)60(52)55-57-31-30-48(58-55)38-13-10-12-37(32-38)41-17-11-18-45-44-16-6-9-21-53(44)61-54(41)45/h1-36H;4-34H,1-3H3.
What are the key properties of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 1605.98 g/mol, XLogP of 30.58, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 160557560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).