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

C158H99N15 — CID 161446776

IUPAC9-(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
SMILESN#Cc1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccc5c(c6ccccc6n5-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc6c(c7ccccc7n6-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5n(-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)40-29-33-53-48(35-40)46-32-34-54-56(57(46)63(53)42-23-11-4-12-24-42)47-26-14-16-28-52(47)62(54)43-30-31-45-44-25-13-15-27-51(44)61(55(45)36-43)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)39-29-31-45-46-33-34-50-53(54(46)63(51(45)35-39)41-23-11-4-12-24-41)47-26-14-16-28-49(47)62(50)42-30-32-44-43-25-13-15-27-48(43)61(52(44)36-42)40-21-9-3-10-22-40;44-27-28-19-23-39-36(25-28)34-22-24-40-42(43(34)47(39)30-13-5-2-6-14-30)35-16-8-10-18-38(35)46(40)31-20-21-33-32-15-7-9-17-37(32)45(41(33)26-31)29-11-3-1-4-12-29/h1-37H;1-36H;1-26H
InChIKeyVZZOXXQADWICTH-UHFFFAOYSA-N
MW2207.63 g/mol
LogP39.78
Rot. Bonds15

About 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

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 (PubChem CID 161446776) has the molecular formula C158H99N15 and a molecular weight of 2207.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID161446776
Molecular FormulaC158H99N15
Molecular Weight2207.63 g/mol
Exact Mass2205.82
IUPAC Name9-(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
SMILESN#Cc1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccc5c(c6ccccc6n5-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc6c(c7ccccc7n6-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5n(-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)40-29-33-53-48(35-40)46-32-34-54-56(57(46)63(53)42-23-11-4-12-24-42)47-26-14-16-28-52(47)62(54)43-30-31-45-44-25-13-15-27-51(44)61(55(45)36-43)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)39-29-31-45-46-33-34-50-53(54(46)63(51(45)35-39)41-23-11-4-12-24-41)47-26-14-16-28-49(47)62(50)42-30-32-44-43-25-13-15-27-48(43)61(52(44)36-42)40-21-9-3-10-22-40;44-27-28-19-23-39-36(25-28)34-22-24-40-42(43(34)47(39)30-13-5-2-6-14-30)35-16-8-10-18-38(35)46(40)31-20-21-33-32-15-7-9-17-37(32)45(41(33)26-31)29-11-3-1-4-12-29/h1-37H;1-36H;1-26H
InChIKeyVZZOXXQADWICTH-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 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 with MolForge

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Related Compounds

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
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
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-(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-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
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
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole
CID 90195034
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccc5c(c6ccccc6n5-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc6c(c7ccccc7n6-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is VZZOXXQADWICTH-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)40-29-33-53-48(35-40)46-32-34-54-56(57(46)63(53)42-23-11-4-12-24-42)47-26-14-16-28-52(47)62(54)43-30-31-45-44-25-13-15-27-51(44)61(55(45)36-43)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)39-29-31-45-46-33-34-50-53(54(46)63(51(45)35-39)41-23-11-4-12-24-41)47-26-14-16-28-49(47)62(50)42-30-32-44-43-25-13-15-27-48(43)61(52(44)36-42)40-21-9-3-10-22-40;44-27-28-19-23-39-36(25-28)34-22-24-40-42(43(34)47(39)30-13-5-2-6-14-30)35-16-8-10-18-38(35)46(40)31-20-21-33-32-15-7-9-17-37(32)45(41(33)26-31)29-11-3-1-4-12-29/h1-37H;1-36H;1-26H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 161446776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).