6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile

C158H99N15 — CID 161026535

IUPAC6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile
SMILESN#Cc1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c12.c1ccc(-c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C58H37N5.C57H36N6.C43H26N4/c1-5-20-38(21-6-1)48-37-49(60-58(59-48)39-22-7-2-8-23-39)47-36-46-43-29-14-17-33-51(43)62(41-26-11-4-12-27-41)56(46)54-45-30-15-18-34-52(45)63(57(47)54)53-35-19-31-44-42-28-13-16-32-50(42)61(55(44)53)40-24-9-3-10-25-40;1-5-20-37(21-6-1)55-58-56(38-22-7-2-8-23-38)60-57(59-55)46-36-45-42-29-14-17-33-48(42)62(40-26-11-4-12-27-40)53(45)51-44-30-15-18-34-49(44)63(54(46)51)50-35-19-31-43-41-28-13-16-32-47(41)61(52(43)50)39-24-9-3-10-25-39;44-27-28-13-11-21-35-40-38(26-25-34-32-19-8-10-23-37(32)46(43(34)40)30-16-5-2-6-17-30)47(41(28)35)39-24-12-20-33-31-18-7-9-22-36(31)45(42(33)39)29-14-3-1-4-15-29/h1-37H;1-36H;1-26H
InChIKeyTZAYSTRZLGNGLM-UHFFFAOYSA-N
MW2207.63 g/mol
LogP39.78
Rot. Bonds15

About 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile

6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile (PubChem CID 161026535) has the molecular formula C158H99N15 and a molecular weight of 2207.63 g/mol. Its IUPAC name is 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile.

Molecular Properties

Compound Name6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile
PubChem CID161026535
Molecular FormulaC158H99N15
Molecular Weight2207.63 g/mol
Exact Mass2205.82
IUPAC Name6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile
SMILESN#Cc1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c12.c1ccc(-c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C58H37N5.C57H36N6.C43H26N4/c1-5-20-38(21-6-1)48-37-49(60-58(59-48)39-22-7-2-8-23-39)47-36-46-43-29-14-17-33-51(43)62(41-26-11-4-12-27-41)56(46)54-45-30-15-18-34-52(45)63(57(47)54)53-35-19-31-44-42-28-13-16-32-50(42)61(55(44)53)40-24-9-3-10-25-40;1-5-20-37(21-6-1)55-58-56(38-22-7-2-8-23-38)60-57(59-55)46-36-45-42-29-14-17-33-48(42)62(40-26-11-4-12-27-40)53(45)51-44-30-15-18-34-49(44)63(54(46)51)50-35-19-31-43-41-28-13-16-32-47(41)61(52(43)50)39-24-9-3-10-25-39;44-27-28-13-11-21-35-40-38(26-25-34-32-19-8-10-23-37(32)46(43(34)40)30-16-5-2-6-17-30)47(41(28)35)39-24-12-20-33-31-18-7-9-22-36(31)45(42(33)39)29-14-3-1-4-15-29/h1-37H;1-36H;1-26H
InChIKeyTZAYSTRZLGNGLM-UHFFFAOYSA-N
XLogP39.78
TPSA132.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.63
LogP ≤ 539.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile with MolForge

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Related Compounds

5-[5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 157484056
4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole
CID 134598177
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597921
8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole
CID 134598091
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549
3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155446842
12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile?
The IUPAC name of 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile (CID 161026535) is 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile.
What is the SMILES notation for 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile?
The canonical SMILES for 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile is N#Cc1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c12.c1ccc(-c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1.
What is the InChIKey of 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile?
The InChIKey is TZAYSTRZLGNGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5.C57H36N6.C43H26N4/c1-5-20-38(21-6-1)48-37-49(60-58(59-48)39-22-7-2-8-23-39)47-36-46-43-29-14-17-33-51(43)62(41-26-11-4-12-27-41)56(46)54-45-30-15-18-34-52(45)63(57(47)54)53-35-19-31-44-42-28-13-16-32-50(42)61(55(44)53)40-24-9-3-10-25-40;1-5-20-37(21-6-1)55-58-56(38-22-7-2-8-23-38)60-57(59-55)46-36-45-42-29-14-17-33-48(42)62(40-26-11-4-12-27-40)53(45)51-44-30-15-18-34-49(44)63(54(46)51)50-35-19-31-43-41-28-13-16-32-47(41)61(52(43)50)39-24-9-3-10-25-39;44-27-28-13-11-21-35-40-38(26-25-34-32-19-8-10-23-37(32)46(43(34)40)30-16-5-2-6-17-30)47(41(28)35)39-24-12-20-33-31-18-7-9-22-36(31)45(42(33)39)29-14-3-1-4-15-29/h1-37H;1-36H;1-26H.
What are the key properties of 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile?
6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile has a molecular weight of 2207.63 g/mol, XLogP of 39.78, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile is sourced from PubChem (CID 161026535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).