12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole

C152H126N12 — CID 161054148

IUPAC12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c32)cc1.CCCCCCCCc1cccc(-c2cc(-c3cccc(CCCCCCCC)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c43)c2)cc1
InChIInChI=1S/C56H58N4.C52H34N4.C44H34N4/c1-3-5-7-9-11-14-24-41-26-22-28-43(38-41)50-40-51(44-29-23-27-42(39-44)25-15-12-10-8-6-4-2)58-56(57-50)60-53-35-21-19-33-47(53)49-37-36-48-46-32-18-20-34-52(46)59(54(48)55(49)60)45-30-16-13-17-31-45;1-5-17-35(18-6-1)39-31-40(36-19-7-2-8-20-36)33-41(32-39)55-48-27-15-13-25-42(48)44-29-30-45-43-26-14-16-28-49(43)56(51(45)50(44)55)52-53-46(37-21-9-3-10-22-37)34-47(54-52)38-23-11-4-12-24-38;1-44(2,3)31-22-24-32(25-23-31)47-39-20-12-10-18-33(39)35-26-27-36-34-19-11-13-21-40(34)48(42(36)41(35)47)43-45-37(29-14-6-4-7-15-29)28-38(46-43)30-16-8-5-9-17-30/h13,16-23,26-40H,3-12,14-15,24-25H2,1-2H3;1-34H;4-28H,1-3H3
InChIKeyUCNFSUHIULCRJB-UHFFFAOYSA-N
MW2120.76 g/mol
LogP40.45
Rot. Bonds28

About 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole

12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole (PubChem CID 161054148) has the molecular formula C152H126N12 and a molecular weight of 2120.76 g/mol. Its IUPAC name is 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
PubChem CID161054148
Molecular FormulaC152H126N12
Molecular Weight2120.76 g/mol
Exact Mass2119.02
IUPAC Name12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c32)cc1.CCCCCCCCc1cccc(-c2cc(-c3cccc(CCCCCCCC)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c43)c2)cc1
InChIInChI=1S/C56H58N4.C52H34N4.C44H34N4/c1-3-5-7-9-11-14-24-41-26-22-28-43(38-41)50-40-51(44-29-23-27-42(39-44)25-15-12-10-8-6-4-2)58-56(57-50)60-53-35-21-19-33-47(53)49-37-36-48-46-32-18-20-34-52(46)59(54(48)55(49)60)45-30-16-13-17-31-45;1-5-17-35(18-6-1)39-31-40(36-19-7-2-8-20-36)33-41(32-39)55-48-27-15-13-25-42(48)44-29-30-45-43-26-14-16-28-49(43)56(51(45)50(44)55)52-53-46(37-21-9-3-10-22-37)34-47(54-52)38-23-11-4-12-24-38;1-44(2,3)31-22-24-32(25-23-31)47-39-20-12-10-18-33(39)35-26-27-36-34-19-11-13-21-40(34)48(42(36)41(35)47)43-45-37(29-14-6-4-7-15-29)28-38(46-43)30-16-8-5-9-17-30/h13,16-23,26-40H,3-12,14-15,24-25H2,1-2H3;1-34H;4-28H,1-3H3
InChIKeyUCNFSUHIULCRJB-UHFFFAOYSA-N
XLogP40.45
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002120.76
LogP ≤ 540.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole with MolForge

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Related Compounds

12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 160639693
12-[4,6-bis(3-octylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157107156
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 158245863
11-(4-tert-butylphenyl)-12-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 130184056
12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 156556543
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169036862
butane;3,8-dibutyl-11-phenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 142314968
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
12-phenyl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indolo[3,2-c]carbazole
CID 134169035
12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 161100572
2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 159409871

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole (CID 161054148) is 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c32)cc1.CCCCCCCCc1cccc(-c2cc(-c3cccc(CCCCCCCC)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c43)c2)cc1.
What is the InChIKey of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
The InChIKey is UCNFSUHIULCRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58N4.C52H34N4.C44H34N4/c1-3-5-7-9-11-14-24-41-26-22-28-43(38-41)50-40-51(44-29-23-27-42(39-44)25-15-12-10-8-6-4-2)58-56(57-50)60-53-35-21-19-33-47(53)49-37-36-48-46-32-18-20-34-52(46)59(54(48)55(49)60)45-30-16-13-17-31-45;1-5-17-35(18-6-1)39-31-40(36-19-7-2-8-20-36)33-41(32-39)55-48-27-15-13-25-42(48)44-29-30-45-43-26-14-16-28-49(43)56(51(45)50(44)55)52-53-46(37-21-9-3-10-22-37)34-47(54-52)38-23-11-4-12-24-38;1-44(2,3)31-22-24-32(25-23-31)47-39-20-12-10-18-33(39)35-26-27-36-34-19-11-13-21-40(34)48(42(36)41(35)47)43-45-37(29-14-6-4-7-15-29)28-38(46-43)30-16-8-5-9-17-30/h13,16-23,26-40H,3-12,14-15,24-25H2,1-2H3;1-34H;4-28H,1-3H3.
What are the key properties of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 2120.76 g/mol, XLogP of 40.45, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 161054148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).