9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole

C167H104N12O2S — CID 163857430

IUPAC9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cc4ccccc4c4ccccc34)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cccc(-c5ccc(-c6ccccc6)cc5)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3cc(-c5cccc(-c6ccccc6)c5)ccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3cc(-c5cccc(-c6ccccc6)c5)ccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C59H36N4S.C57H36N4O.C51H32N4O/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)44-26-15-29-54-55(44)50-35-42(63-52-27-13-11-24-47(52)48-25-12-14-28-53(48)63)36-51(56(50)64-54)59-61-57(40-18-5-2-6-19-40)60-58(62-59)49-34-41-20-7-8-21-43(41)45-22-9-10-23-46(45)49;1-4-15-37(16-5-1)39-27-29-41(30-28-39)56-58-55(40-19-8-3-9-20-40)59-57(60-56)50-36-45(61-51-25-12-10-23-46(51)47-24-11-13-26-52(47)61)35-49-48-32-31-44(34-53(48)62-54(49)50)43-22-14-21-42(33-43)38-17-6-2-7-18-38;1-4-15-33(16-5-1)36-21-14-22-37(29-36)38-27-28-42-43-31-39(55-45-25-12-10-23-40(45)41-24-11-13-26-46(41)55)32-44(48(43)56-47(42)30-38)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-36H;1-36H;1-32H/i2D,5D,6D,18D,19D;3D,8D,9D,19D,20D;2D,6D,7D,17D,18D
InChIKeyOZNDIIXDDIUCPD-SDNNYXADSA-N
MW2357.91 g/mol
LogP44.05
Rot. Bonds19

About 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole

9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole (PubChem CID 163857430) has the molecular formula C167H104N12O2S and a molecular weight of 2357.91 g/mol. Its IUPAC name is 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
PubChem CID163857430
Molecular FormulaC167H104N12O2S
Molecular Weight2357.91 g/mol
Exact Mass2355.91
IUPAC Name9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cc4ccccc4c4ccccc34)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cccc(-c5ccc(-c6ccccc6)cc5)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3cc(-c5cccc(-c6ccccc6)c5)ccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3cc(-c5cccc(-c6ccccc6)c5)ccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C59H36N4S.C57H36N4O.C51H32N4O/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)44-26-15-29-54-55(44)50-35-42(63-52-27-13-11-24-47(52)48-25-12-14-28-53(48)63)36-51(56(50)64-54)59-61-57(40-18-5-2-6-19-40)60-58(62-59)49-34-41-20-7-8-21-43(41)45-22-9-10-23-46(45)49;1-4-15-37(16-5-1)39-27-29-41(30-28-39)56-58-55(40-19-8-3-9-20-40)59-57(60-56)50-36-45(61-51-25-12-10-23-46(51)47-24-11-13-26-52(47)61)35-49-48-32-31-44(34-53(48)62-54(49)50)43-22-14-21-42(33-43)38-17-6-2-7-18-38;1-4-15-33(16-5-1)36-21-14-22-37(29-36)38-27-28-42-43-31-39(55-45-25-12-10-23-40(45)41-24-11-13-26-46(41)55)32-44(48(43)56-47(42)30-38)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-36H;1-36H;1-32H/i2D,5D,6D,18D,19D;3D,8D,9D,19D,20D;2D,6D,7D,17D,18D
InChIKeyOZNDIIXDDIUCPD-SDNNYXADSA-N
XLogP44.05
TPSA157.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002357.91
LogP ≤ 544.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-7-phenyldibenzofuran-2-yl]carbazole
CID 162780361
9-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole
CID 162780486
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole
CID 162780481
9-[4-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 163976267
9-[7-phenyl-4-[4-phenyl-6-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 162780287
9-[9-phenyl-4-[4-phenyl-6-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 162780535
9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole;9-[7-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole;9-[7-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole
CID 157083230
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-9-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 162780447
9-[9-(2,3,4,5,6-pentadeuteriophenyl)-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 162780560
9-[4-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 162780551
9-[3-[4-[2-carbazol-9-yl-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780713
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyldibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-9-phenyldibenzofuran-2-yl]carbazole
CID 163936067

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole (CID 163857430) is 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3cc4ccccc4c4ccccc34)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cccc(-c5ccc(-c6ccccc6)cc5)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3cc(-c5cccc(-c6ccccc6)c5)ccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3cc(-c5cccc(-c6ccccc6)c5)ccc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?
The InChIKey is OZNDIIXDDIUCPD-SDNNYXADSA-N. The full InChI is InChI=1S/C59H36N4S.C57H36N4O.C51H32N4O/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)44-26-15-29-54-55(44)50-35-42(63-52-27-13-11-24-47(52)48-25-12-14-28-53(48)63)36-51(56(50)64-54)59-61-57(40-18-5-2-6-19-40)60-58(62-59)49-34-41-20-7-8-21-43(41)45-22-9-10-23-46(45)49;1-4-15-37(16-5-1)39-27-29-41(30-28-39)56-58-55(40-19-8-3-9-20-40)59-57(60-56)50-36-45(61-51-25-12-10-23-46(51)47-24-11-13-26-52(47)61)35-49-48-32-31-44(34-53(48)62-54(49)50)43-22-14-21-42(33-43)38-17-6-2-7-18-38;1-4-15-33(16-5-1)36-21-14-22-37(29-36)38-27-28-42-43-31-39(55-45-25-12-10-23-40(45)41-24-11-13-26-46(41)55)32-44(48(43)56-47(42)30-38)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-36H;1-36H;1-32H/i2D,5D,6D,18D,19D;3D,8D,9D,19D,20D;2D,6D,7D,17D,18D.
What are the key properties of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole has a molecular weight of 2357.91 g/mol, XLogP of 44.05, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 163857430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).