9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole

C177H114N18 — CID 160604847

IUPAC9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c8c9ccccc9ccc8n(-c8ccccc8)c7c6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/3C59H38N6/c1-5-18-40(19-6-1)51-38-52(61-56(60-51)41-20-7-2-8-21-41)45-26-15-24-43(35-45)44-25-16-27-46(36-44)58-62-57(42-22-9-3-10-23-42)63-59(64-58)47-31-33-50-54(37-47)65(48-28-11-4-12-29-48)53-34-32-39-17-13-14-30-49(39)55(50)53;1-5-19-39(20-6-1)56-60-51(38-52(61-56)50-37-54-55(48-32-14-13-31-47(48)50)49-33-15-16-34-53(49)65(54)46-29-11-4-12-30-46)44-27-17-25-42(35-44)43-26-18-28-45(36-43)59-63-57(40-21-7-2-8-22-40)62-58(64-59)41-23-9-3-10-24-41;1-5-19-39(20-6-1)51-38-52(61-59(60-51)50-37-54-55(48-32-14-13-31-47(48)50)49-33-15-16-34-53(49)65(54)46-29-11-4-12-30-46)44-27-17-25-42(35-44)43-26-18-28-45(36-43)58-63-56(40-21-7-2-8-22-40)62-57(64-58)41-23-9-3-10-24-41/h3*1-38H
InChIKeyRESYPBWQWXRYKJ-UHFFFAOYSA-N
MW2492.98 g/mol
LogP43.74
Rot. Bonds24

About 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole

9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole (PubChem CID 160604847) has the molecular formula C177H114N18 and a molecular weight of 2492.98 g/mol. Its IUPAC name is 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole
PubChem CID160604847
Molecular FormulaC177H114N18
Molecular Weight2492.98 g/mol
Exact Mass2490.95
IUPAC Name9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c8c9ccccc9ccc8n(-c8ccccc8)c7c6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/3C59H38N6/c1-5-18-40(19-6-1)51-38-52(61-56(60-51)41-20-7-2-8-21-41)45-26-15-24-43(35-45)44-25-16-27-46(36-44)58-62-57(42-22-9-3-10-23-42)63-59(64-58)47-31-33-50-54(37-47)65(48-28-11-4-12-29-48)53-34-32-39-17-13-14-30-49(39)55(50)53;1-5-19-39(20-6-1)56-60-51(38-52(61-56)50-37-54-55(48-32-14-13-31-47(48)50)49-33-15-16-34-53(49)65(54)46-29-11-4-12-30-46)44-27-17-25-42(35-44)43-26-18-28-45(36-43)59-63-57(40-21-7-2-8-22-40)62-58(64-59)41-23-9-3-10-24-41;1-5-19-39(20-6-1)51-38-52(61-59(60-51)50-37-54-55(48-32-14-13-31-47(48)50)49-33-15-16-34-53(49)65(54)46-29-11-4-12-30-46)44-27-17-25-42(35-44)43-26-18-28-45(36-43)58-63-56(40-21-7-2-8-22-40)62-57(64-58)41-23-9-3-10-24-41/h3*1-38H
InChIKeyRESYPBWQWXRYKJ-UHFFFAOYSA-N
XLogP43.74
TPSA208.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.98
LogP ≤ 543.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole with MolForge

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Related Compounds

9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;10-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole
CID 159515250
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 130351139
9-[4-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 160531534
9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-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;9-phenyl-14-[4-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]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
CID 160842318
12-[3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916096
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 130351579
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
bis(3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole);2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157084696
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 159745191
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-14-(4-phenylphenyl)-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;9-(3-phenylphenyl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]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
CID 161256729
12-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 122551002

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole (CID 160604847) is 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c8c9ccccc9ccc8n(-c8ccccc8)c7c6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole?
The InChIKey is RESYPBWQWXRYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H38N6/c1-5-18-40(19-6-1)51-38-52(61-56(60-51)41-20-7-2-8-21-41)45-26-15-24-43(35-45)44-25-16-27-46(36-44)58-62-57(42-22-9-3-10-23-42)63-59(64-58)47-31-33-50-54(37-47)65(48-28-11-4-12-29-48)53-34-32-39-17-13-14-30-49(39)55(50)53;1-5-19-39(20-6-1)56-60-51(38-52(61-56)50-37-54-55(48-32-14-13-31-47(48)50)49-33-15-16-34-53(49)65(54)46-29-11-4-12-30-46)44-27-17-25-42(35-44)43-26-18-28-45(36-43)59-63-57(40-21-7-2-8-22-40)62-58(64-59)41-23-9-3-10-24-41;1-5-19-39(20-6-1)51-38-52(61-59(60-51)50-37-54-55(48-32-14-13-31-47(48)50)49-33-15-16-34-53(49)65(54)46-29-11-4-12-30-46)44-27-17-25-42(35-44)43-26-18-28-45(36-43)58-63-56(40-21-7-2-8-22-40)62-57(64-58)41-23-9-3-10-24-41/h3*1-38H.
What are the key properties of 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole?
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 2492.98 g/mol, XLogP of 43.74, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylbenzo[c]carbazole;5-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-7-phenylbenzo[c]carbazole;5-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 160604847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).