5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile

C158H99N15 — CID 160551737

IUPAC5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3n(-c3ccccc3)c2c1.c1ccc(-c2cc(-c3ccc4c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5n(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C58H37N5.C57H36N6.C43H26N4/c1-5-17-38(18-6-1)49-37-50(60-58(59-49)39-19-7-2-8-20-39)40-29-31-45-46-32-30-43(36-55(46)61(54(45)35-40)41-21-9-3-10-22-41)62-52-28-16-14-26-48(52)56-53(62)34-33-47-44-25-13-15-27-51(44)63(57(47)56)42-23-11-4-12-24-42;1-5-17-37(18-6-1)55-58-56(38-19-7-2-8-20-38)60-57(59-55)39-29-31-44-45-32-30-42(36-52(45)61(51(44)35-39)40-21-9-3-10-22-40)62-49-28-16-14-26-47(49)53-50(62)34-33-46-43-25-13-15-27-48(43)63(54(46)53)41-23-11-4-12-24-41;44-27-28-19-21-33-34-22-20-31(26-41(34)45(40(33)25-28)29-11-3-1-4-12-29)46-38-18-10-8-16-36(38)42-39(46)24-23-35-32-15-7-9-17-37(32)47(43(35)42)30-13-5-2-6-14-30/h1-37H;1-36H;1-26H
InChIKeyQYDZEZYTFMJJAQ-UHFFFAOYSA-N
MW2207.63 g/mol
LogP39.78
Rot. Bonds15

About 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile

5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile (PubChem CID 160551737) has the molecular formula C158H99N15 and a molecular weight of 2207.63 g/mol. Its IUPAC name is 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile
PubChem CID160551737
Molecular FormulaC158H99N15
Molecular Weight2207.63 g/mol
Exact Mass2205.82
IUPAC Name5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3n(-c3ccccc3)c2c1.c1ccc(-c2cc(-c3ccc4c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5n(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C58H37N5.C57H36N6.C43H26N4/c1-5-17-38(18-6-1)49-37-50(60-58(59-49)39-19-7-2-8-20-39)40-29-31-45-46-32-30-43(36-55(46)61(54(45)35-40)41-21-9-3-10-22-41)62-52-28-16-14-26-48(52)56-53(62)34-33-47-44-25-13-15-27-51(44)63(57(47)56)42-23-11-4-12-24-42;1-5-17-37(18-6-1)55-58-56(38-19-7-2-8-20-38)60-57(59-55)39-29-31-44-45-32-30-42(36-52(45)61(51(44)35-39)40-21-9-3-10-22-40)62-49-28-16-14-26-47(49)53-50(62)34-33-46-43-25-13-15-27-48(43)63(54(46)53)41-23-11-4-12-24-41;44-27-28-19-21-33-34-22-20-31(26-41(34)45(40(33)25-28)29-11-3-1-4-12-29)46-38-18-10-8-16-36(38)42-39(46)24-23-35-32-15-7-9-17-37(32)47(43(35)42)30-13-5-2-6-14-30/h1-37H;1-36H;1-26H
InChIKeyQYDZEZYTFMJJAQ-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 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile with MolForge

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Related Compounds

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
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
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
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
4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-isocyano-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-2-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-10-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[2,3-g]carbazole-3-carbonitrile
CID 158229297
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
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 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile?
The IUPAC name of 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile (CID 160551737) is 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile?
The canonical SMILES for 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3n(-c3ccccc3)c2c1.c1ccc(-c2cc(-c3ccc4c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5n(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile?
The InChIKey is QYDZEZYTFMJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5.C57H36N6.C43H26N4/c1-5-17-38(18-6-1)49-37-50(60-58(59-49)39-19-7-2-8-20-39)40-29-31-45-46-32-30-43(36-55(46)61(54(45)35-40)41-21-9-3-10-22-41)62-52-28-16-14-26-48(52)56-53(62)34-33-47-44-25-13-15-27-51(44)63(57(47)56)42-23-11-4-12-24-42;1-5-17-37(18-6-1)55-58-56(38-19-7-2-8-20-38)60-57(59-55)39-29-31-44-45-32-30-42(36-52(45)61(51(44)35-39)40-21-9-3-10-22-40)62-49-28-16-14-26-47(49)53-50(62)34-33-46-43-25-13-15-27-48(43)63(54(46)53)41-23-11-4-12-24-41;44-27-28-19-21-33-34-22-20-31(26-41(34)45(40(33)25-28)29-11-3-1-4-12-29)46-38-18-10-8-16-36(38)42-39(46)24-23-35-32-15-7-9-17-37(32)47(43(35)42)30-13-5-2-6-14-30/h1-37H;1-36H;1-26H.
What are the key properties of 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile?
5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-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 5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 160551737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).