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

C190H124N16 — CID 161100572

IUPAC12-[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
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)n3)cc2)cc1
InChIInChI=1S/C51H33N5.C47H31N3.2C46H30N4/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(33-38)56-46-26-13-11-24-42(46)44-32-31-43-41-23-10-12-25-45(41)55(47(43)48(44)56)39-20-8-3-9-21-39;1-4-15-32(16-5-1)35-30-42(33-17-6-2-7-18-33)48-43(31-35)34-19-14-22-37(29-34)50-45-26-13-11-24-39(45)41-28-27-40-38-23-10-12-25-44(38)49(46(40)47(41)50)36-20-8-3-9-21-36;1-4-15-31(16-5-1)40-30-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-30-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34/h1-33H;1-31H;2*1-30H
InChIKeyUIJATKHQWCMRAN-UHFFFAOYSA-N
MW2631.19 g/mol
LogP48.35
Rot. Bonds21

About 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

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 (PubChem CID 161100572) has the molecular formula C190H124N16 and a molecular weight of 2631.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID161100572
Molecular FormulaC190H124N16
Molecular Weight2631.19 g/mol
Exact Mass2629.02
IUPAC Name12-[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
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)n3)cc2)cc1
InChIInChI=1S/C51H33N5.C47H31N3.2C46H30N4/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(33-38)56-46-26-13-11-24-42(46)44-32-31-43-41-23-10-12-25-45(41)55(47(43)48(44)56)39-20-8-3-9-21-39;1-4-15-32(16-5-1)35-30-42(33-17-6-2-7-18-33)48-43(31-35)34-19-14-22-37(29-34)50-45-26-13-11-24-39(45)41-28-27-40-38-23-10-12-25-44(38)49(46(40)47(41)50)36-20-8-3-9-21-36;1-4-15-31(16-5-1)40-30-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-30-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34/h1-33H;1-31H;2*1-30H
InChIKeyUIJATKHQWCMRAN-UHFFFAOYSA-N
XLogP48.35
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002631.19
LogP ≤ 548.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is UIJATKHQWCMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C47H31N3.2C46H30N4/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(33-38)56-46-26-13-11-24-42(46)44-32-31-43-41-23-10-12-25-45(41)55(47(43)48(44)56)39-20-8-3-9-21-39;1-4-15-32(16-5-1)35-30-42(33-17-6-2-7-18-33)48-43(31-35)34-19-14-22-37(29-34)50-45-26-13-11-24-39(45)41-28-27-40-38-23-10-12-25-44(38)49(46(40)47(41)50)36-20-8-3-9-21-36;1-4-15-31(16-5-1)40-30-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-30-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34/h1-33H;1-31H;2*1-30H.
What are the key properties of 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?
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 has a molecular weight of 2631.19 g/mol, XLogP of 48.35, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161100572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).