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

C151H92N12S3 — CID 163802533

IUPAC9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)sc2c(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cc(-c5ccccc5)ccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cc(-c5ccccc5)ccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C53H32N4S.2C49H30N4S/c1-3-13-33(14-4-1)37-27-28-43-45-31-39(57-47-21-11-9-19-41(47)42-20-10-12-22-48(42)57)32-46(50(45)58-49(43)30-37)53-55-51(36-16-5-2-6-17-36)54-52(56-53)38-26-25-35-24-23-34-15-7-8-18-40(34)44(35)29-38;1-3-14-31(15-4-1)34-26-27-39-41-29-35(53-43-24-11-9-21-37(43)38-22-10-12-25-44(38)53)30-42(46(41)54-45(39)28-34)49-51-47(33-17-5-2-6-18-33)50-48(52-49)40-23-13-19-32-16-7-8-20-36(32)40;1-3-13-31(14-4-1)35-25-26-40-41-29-37(53-43-21-11-9-19-38(43)39-20-10-12-22-44(39)53)30-42(46(41)54-45(40)28-35)49-51-47(33-16-5-2-6-17-33)50-48(52-49)36-24-23-32-15-7-8-18-34(32)27-36/h1-32H;2*1-30H/i2D,5D,6D,16D,17D;1D,3D,4D,14D,15D;2D,5D,6D,16D,17D
InChIKeyNGFWFTRYIMWRHL-ZZAITSNHSA-N
MW2185.77 g/mol
LogP40.63
Rot. Bonds15

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

9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole (PubChem CID 163802533) has the molecular formula C151H92N12S3 and a molecular weight of 2185.77 g/mol. Its IUPAC name is 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole
PubChem CID163802533
Molecular FormulaC151H92N12S3
Molecular Weight2185.77 g/mol
Exact Mass2183.77
IUPAC Name9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)sc2c(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cc(-c5ccccc5)ccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cc(-c5ccccc5)ccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C53H32N4S.2C49H30N4S/c1-3-13-33(14-4-1)37-27-28-43-45-31-39(57-47-21-11-9-19-41(47)42-20-10-12-22-48(42)57)32-46(50(45)58-49(43)30-37)53-55-51(36-16-5-2-6-17-36)54-52(56-53)38-26-25-35-24-23-34-15-7-8-18-40(34)44(35)29-38;1-3-14-31(15-4-1)34-26-27-39-41-29-35(53-43-24-11-9-21-37(43)38-22-10-12-25-44(38)53)30-42(46(41)54-45(39)28-34)49-51-47(33-17-5-2-6-18-33)50-48(52-49)40-23-13-19-32-16-7-8-20-36(32)40;1-3-13-31(14-4-1)35-25-26-40-41-29-37(53-43-21-11-9-19-38(43)39-20-10-12-22-44(39)53)30-42(46(41)54-45(40)28-35)49-51-47(33-16-5-2-6-17-33)50-48(52-49)36-24-23-32-15-7-8-18-34(32)27-36/h1-32H;2*1-30H/i2D,5D,6D,16D,17D;1D,3D,4D,14D,15D;2D,5D,6D,16D,17D
InChIKeyNGFWFTRYIMWRHL-ZZAITSNHSA-N
XLogP40.63
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002185.77
LogP ≤ 540.63
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-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

9-[7-naphthalen-2-yl-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 162780781
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-phenanthren-2-yldibenzothiophen-2-yl]carbazole
CID 162780697
9-[3-[4-[2-carbazol-9-yl-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780363
9-[4-(2-carbazol-9-yl-8-phenyldibenzothiophen-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 162780614
2-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;1-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163558048
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-8-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780319
9-[4-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole
CID 163958327
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
CID 163501984
9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole
CID 163918399
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-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
CID 130265385
2-fluoro-9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780424

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole (CID 163802533) is 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)sc2c(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cc(-c5ccccc5)ccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cc(-c5ccccc5)ccc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole?
The InChIKey is NGFWFTRYIMWRHL-ZZAITSNHSA-N. The full InChI is InChI=1S/C53H32N4S.2C49H30N4S/c1-3-13-33(14-4-1)37-27-28-43-45-31-39(57-47-21-11-9-19-41(47)42-20-10-12-22-48(42)57)32-46(50(45)58-49(43)30-37)53-55-51(36-16-5-2-6-17-36)54-52(56-53)38-26-25-35-24-23-34-15-7-8-18-40(34)44(35)29-38;1-3-14-31(15-4-1)34-26-27-39-41-29-35(53-43-24-11-9-21-37(43)38-22-10-12-25-44(38)53)30-42(46(41)54-45(39)28-34)49-51-47(33-17-5-2-6-18-33)50-48(52-49)40-23-13-19-32-16-7-8-20-36(32)40;1-3-13-31(14-4-1)35-25-26-40-41-29-37(53-43-21-11-9-19-38(43)39-20-10-12-22-44(39)53)30-42(46(41)54-45(40)28-35)49-51-47(33-16-5-2-6-17-33)50-48(52-49)36-24-23-32-15-7-8-18-34(32)27-36/h1-32H;2*1-30H/i2D,5D,6D,16D,17D;1D,3D,4D,14D,15D;2D,5D,6D,16D,17D.
What are the key properties of 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole?
9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole has a molecular weight of 2185.77 g/mol, XLogP of 40.63, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 163802533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).