3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole

C238H148N16O4 — CID 163786924

IUPAC3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C63H38N4O.2C63H40N4O.C49H30N4O/c1-4-16-39(17-5-1)61-64-62(40-18-6-2-7-19-40)66-63(65-61)44-36-53(60-52-26-14-15-27-58(52)68-59(60)38-44)43-30-33-56-55(35-43)51-32-29-42(37-57(51)67(56)45-20-8-3-9-21-45)41-28-31-50-48-24-11-10-22-46(48)47-23-12-13-25-49(47)54(50)34-41;1-5-17-41(18-6-1)44-23-15-25-48(35-44)61-64-62(49-26-16-24-45(36-49)42-19-7-2-8-20-42)66-63(65-61)50-39-53(60-52-29-13-14-30-58(52)68-59(60)40-50)47-32-34-57-55(38-47)54-37-46(43-21-9-3-10-22-43)31-33-56(54)67(57)51-27-11-4-12-28-51;1-5-15-41(16-6-1)44-25-29-46(30-26-44)61-64-62(47-31-27-45(28-32-47)42-17-7-2-8-18-42)66-63(65-61)50-39-53(60-52-23-13-14-24-58(52)68-59(60)40-50)49-34-36-57-55(38-49)54-37-48(43-19-9-3-10-20-43)33-35-56(54)67(57)51-21-11-4-12-22-51;1-4-15-32(16-5-1)47-50-48(33-17-6-2-7-18-33)52-49(51-47)35-29-39(46-38-22-12-13-23-43(38)54-44(46)30-35)34-25-26-41-40(28-34)45-37-21-11-10-14-31(37)24-27-42(45)53(41)36-19-8-3-9-20-36/h1-38H;2*1-40H;1-30H
InChIKeyMTJBAPQXEDRCRY-UHFFFAOYSA-N
MW3295.91 g/mol
LogP62.43
Rot. Bonds27

About 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole

3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole (PubChem CID 163786924) has the molecular formula C238H148N16O4 and a molecular weight of 3295.91 g/mol. Its IUPAC name is 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole
PubChem CID163786924
Molecular FormulaC238H148N16O4
Molecular Weight3295.91 g/mol
Exact Mass3293.19
IUPAC Name3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C63H38N4O.2C63H40N4O.C49H30N4O/c1-4-16-39(17-5-1)61-64-62(40-18-6-2-7-19-40)66-63(65-61)44-36-53(60-52-26-14-15-27-58(52)68-59(60)38-44)43-30-33-56-55(35-43)51-32-29-42(37-57(51)67(56)45-20-8-3-9-21-45)41-28-31-50-48-24-11-10-22-46(48)47-23-12-13-25-49(47)54(50)34-41;1-5-17-41(18-6-1)44-23-15-25-48(35-44)61-64-62(49-26-16-24-45(36-49)42-19-7-2-8-20-42)66-63(65-61)50-39-53(60-52-29-13-14-30-58(52)68-59(60)40-50)47-32-34-57-55(38-47)54-37-46(43-21-9-3-10-22-43)31-33-56(54)67(57)51-27-11-4-12-28-51;1-5-15-41(16-6-1)44-25-29-46(30-26-44)61-64-62(47-31-27-45(28-32-47)42-17-7-2-8-18-42)66-63(65-61)50-39-53(60-52-23-13-14-24-58(52)68-59(60)40-50)49-34-36-57-55(38-49)54-37-48(43-19-9-3-10-20-43)33-35-56(54)67(57)51-21-11-4-12-22-51;1-4-15-32(16-5-1)47-50-48(33-17-6-2-7-18-33)52-49(51-47)35-29-39(46-38-22-12-13-23-43(38)54-44(46)30-35)34-25-26-41-40(28-34)45-37-21-11-10-14-31(37)24-27-42(45)53(41)36-19-8-3-9-20-36/h1-38H;2*1-40H;1-30H
InChIKeyMTJBAPQXEDRCRY-UHFFFAOYSA-N
XLogP62.43
TPSA226.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003295.91
LogP ≤ 562.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole with MolForge

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Related Compounds

9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 163799058
3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;9-phenyl-3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]carbazole
CID 163663780
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 165375427
7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
12-[3-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166699540
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 118507595
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole
CID 156549397
2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938682

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole?
The IUPAC name of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole (CID 163786924) is 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole?
The InChIKey is MTJBAPQXEDRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O.2C63H40N4O.C49H30N4O/c1-4-16-39(17-5-1)61-64-62(40-18-6-2-7-19-40)66-63(65-61)44-36-53(60-52-26-14-15-27-58(52)68-59(60)38-44)43-30-33-56-55(35-43)51-32-29-42(37-57(51)67(56)45-20-8-3-9-21-45)41-28-31-50-48-24-11-10-22-46(48)47-23-12-13-25-49(47)54(50)34-41;1-5-17-41(18-6-1)44-23-15-25-48(35-44)61-64-62(49-26-16-24-45(36-49)42-19-7-2-8-20-42)66-63(65-61)50-39-53(60-52-29-13-14-30-58(52)68-59(60)40-50)47-32-34-57-55(38-47)54-37-46(43-21-9-3-10-22-43)31-33-56(54)67(57)51-27-11-4-12-28-51;1-5-15-41(16-6-1)44-25-29-46(30-26-44)61-64-62(47-31-27-45(28-32-47)42-17-7-2-8-18-42)66-63(65-61)50-39-53(60-52-23-13-14-24-58(52)68-59(60)40-50)49-34-36-57-55(38-49)54-37-48(43-19-9-3-10-20-43)33-35-56(54)67(57)51-21-11-4-12-22-51;1-4-15-32(16-5-1)47-50-48(33-17-6-2-7-18-33)52-49(51-47)35-29-39(46-38-22-12-13-23-43(38)54-44(46)30-35)34-25-26-41-40(28-34)45-37-21-11-10-14-31(37)24-27-42(45)53(41)36-19-8-3-9-20-36/h1-38H;2*1-40H;1-30H.
What are the key properties of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole?
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole has a molecular weight of 3295.91 g/mol, XLogP of 62.43, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole is sourced from PubChem (CID 163786924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).