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

C115H73N11 — CID 157419246

IUPAC2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5.C57H36N6/c1-5-17-38(18-6-1)49-37-50(60-58(59-49)39-19-7-2-8-20-39)40-29-32-54-48(35-40)56-55(34-31-46-44-25-13-16-28-52(44)63(57(46)56)42-23-11-4-12-24-42)62(54)43-30-33-53-47(36-43)45-26-14-15-27-51(45)61(53)41-21-9-3-10-22-41;1-5-17-37(18-6-1)55-58-56(38-19-7-2-8-20-38)60-57(59-55)39-29-32-51-47(35-39)53-52(34-31-45-43-25-13-16-28-49(43)63(54(45)53)41-23-11-4-12-24-41)62(51)42-30-33-50-46(36-42)44-26-14-15-27-48(44)61(50)40-21-9-3-10-22-40/h1-37H;1-36H
InChIKeyBPFFIWQQAVIBGJ-UHFFFAOYSA-N
MW1608.93 g/mol
LogP28.93
Rot. Bonds12

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

2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole (PubChem CID 157419246) has the molecular formula C115H73N11 and a molecular weight of 1608.93 g/mol. Its IUPAC name is 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
PubChem CID157419246
Molecular FormulaC115H73N11
Molecular Weight1608.93 g/mol
Exact Mass1607.61
IUPAC Name2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5.C57H36N6/c1-5-17-38(18-6-1)49-37-50(60-58(59-49)39-19-7-2-8-20-39)40-29-32-54-48(35-40)56-55(34-31-46-44-25-13-16-28-52(44)63(57(46)56)42-23-11-4-12-24-42)62(54)43-30-33-53-47(36-43)45-26-14-15-27-51(45)61(53)41-21-9-3-10-22-41;1-5-17-37(18-6-1)55-58-56(38-19-7-2-8-20-38)60-57(59-55)39-29-32-51-47(35-39)53-52(34-31-45-43-25-13-16-28-49(43)63(54(45)53)41-23-11-4-12-24-41)62(51)42-30-33-50-46(36-42)44-26-14-15-27-48(44)61(50)40-21-9-3-10-22-40/h1-37H;1-36H
InChIKeyBPFFIWQQAVIBGJ-UHFFFAOYSA-N
XLogP28.93
TPSA94.03 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001608.93
LogP ≤ 528.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598132
9-[9-(2,6-diphenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazol-5-yl]-7-methyl-5,12-diphenylindolo[3,2-a]carbazole
CID 134598141
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
9-[4-(4,6-diphenylpyrimidin-2-yl)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;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 161114464
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
9-[10-(2,6-diphenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazol-5-yl]-7-methyl-5,12-diphenylindolo[3,2-a]carbazole
CID 134598145
9-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-9-carbonitrile
CID 161446776
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 140903215
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
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole (CID 157419246) is 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The InChIKey is BPFFIWQQAVIBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5.C57H36N6/c1-5-17-38(18-6-1)49-37-50(60-58(59-49)39-19-7-2-8-20-39)40-29-32-54-48(35-40)56-55(34-31-46-44-25-13-16-28-52(44)63(57(46)56)42-23-11-4-12-24-42)62(54)43-30-33-53-47(36-43)45-26-14-15-27-51(45)61(53)41-21-9-3-10-22-41;1-5-17-37(18-6-1)55-58-56(38-19-7-2-8-20-38)60-57(59-55)39-29-32-51-47(35-39)53-52(34-31-45-43-25-13-16-28-49(43)63(54(45)53)41-23-11-4-12-24-41)62(51)42-30-33-50-46(36-42)44-26-14-15-27-48(44)61(50)40-21-9-3-10-22-40/h1-37H;1-36H.
What are the key properties of 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole has a molecular weight of 1608.93 g/mol, XLogP of 28.93, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 157419246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).