3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole

C138H88N16 — CID 158339990

IUPAC3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c([2H])c1[2H].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7cnc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C48H30N6.C46H30N4.C44H28N6/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-48(51-45)54-41-23-13-12-22-38(41)39-28-33(24-26-42(39)54)34-25-27-43-40(29-34)44-37-21-11-10-18-35(37)30-49-47(44)53(43)36-19-8-3-9-20-36;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-4-13-29(14-5-1)41-46-42(30-15-6-2-7-16-30)48-44(47-41)50-38-21-11-10-19-34(38)36-27-31(23-25-40(36)50)32-22-24-39-37(28-32)35-20-12-26-45-43(35)49(39)33-17-8-3-9-18-33/h1-30H;1-30H;1-28H/i;3D,8D,9D,18D,19D;
InChIKeyGRARHQDNCGBTEF-BEVQOVGYSA-N
MW1975.36 g/mol
LogP33.75
Rot. Bonds15

About 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 158339990) has the molecular formula C138H88N16 and a molecular weight of 1975.36 g/mol. Its IUPAC name is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
PubChem CID158339990
Molecular FormulaC138H88N16
Molecular Weight1975.36 g/mol
Exact Mass1973.77
IUPAC Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c([2H])c1[2H].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7cnc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C48H30N6.C46H30N4.C44H28N6/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-48(51-45)54-41-23-13-12-22-38(41)39-28-33(24-26-42(39)54)34-25-27-43-40(29-34)44-37-21-11-10-18-35(37)30-49-47(44)53(43)36-19-8-3-9-20-36;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-4-13-29(14-5-1)41-46-42(30-15-6-2-7-16-30)48-44(47-41)50-38-21-11-10-19-34(38)36-27-31(23-25-40(36)50)32-22-24-39-37(28-32)35-20-12-26-45-43(35)49(39)33-17-8-3-9-18-33/h1-30H;1-30H;1-28H/i;3D,8D,9D,18D,19D;
InChIKeyGRARHQDNCGBTEF-BEVQOVGYSA-N
XLogP33.75
TPSA158.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001975.36
LogP ≤ 533.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole with MolForge

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Related Compounds

7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
CID 161083506
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158327802
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 160982403
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 172513412
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 161381057

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole (CID 158339990) is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c([2H])c1[2H].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7cnc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is GRARHQDNCGBTEF-BEVQOVGYSA-N. The full InChI is InChI=1S/C48H30N6.C46H30N4.C44H28N6/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-48(51-45)54-41-23-13-12-22-38(41)39-28-33(24-26-42(39)54)34-25-27-43-40(29-34)44-37-21-11-10-18-35(37)30-49-47(44)53(43)36-19-8-3-9-20-36;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-4-13-29(14-5-1)41-46-42(30-15-6-2-7-16-30)48-44(47-41)50-38-21-11-10-19-34(38)36-27-31(23-25-40(36)50)32-22-24-39-37(28-32)35-20-12-26-45-43(35)49(39)33-17-8-3-9-18-33/h1-30H;1-30H;1-28H/i;3D,8D,9D,18D,19D;.
What are the key properties of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 1975.36 g/mol, XLogP of 33.75, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylindolo[2,3-c]isoquinoline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 158339990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).