2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline

C263H179N9S4Si2 — CID 164984410

IUPAC2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc3sc4ccccc4c3c2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)N(c2ccccc2)c2ccccc2N3c2ccc3sc4ccccc4c3c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3cccc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)N(c3cccc5c3sc3ccccc35)c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C79H54N2SSi.C66H44N2SSi.C60H39N3S.C58H42N2S/c1-6-25-55(26-7-1)57-29-22-37-63(51-57)83(62-35-14-5-15-36-62,64-38-23-30-58(52-64)56-27-8-2-9-28-56)65-48-50-73-69(54-65)66-39-16-19-43-72(66)80(73)61-47-49-71-76(53-61)81(75-45-24-41-68-67-40-17-21-46-77(67)82-78(68)75)74-44-20-18-42-70(74)79(71,59-31-10-3-11-32-59)60-33-12-4-13-34-60;1-5-20-45(21-6-1)47-36-39-52(46-22-7-2-8-23-46)55(42-47)48-37-40-58-56(43-48)53-28-13-15-30-57(53)67(58)49-38-41-60-65(44-49)70(50-24-9-3-10-25-50,51-26-11-4-12-27-51)64-35-18-16-31-59(64)68(60)61-32-19-34-63-66(61)54-29-14-17-33-62(54)69-63;1-4-17-40(18-5-1)46-25-16-26-47(41-19-6-2-7-20-41)60(46)42-31-34-53-50(37-42)48-23-10-12-27-52(48)62(53)45-32-35-56-57(39-45)61(43-21-8-3-9-22-43)54-28-13-14-29-55(54)63(56)44-33-36-59-51(38-44)49-24-11-15-30-58(49)64-59;1-57(2)49-36-42(58(39-18-6-3-7-19-39,40-20-8-4-9-21-40)41-22-10-5-11-23-41)30-33-53(49)60(43-32-35-56-48(37-43)47-26-14-17-29-55(47)61-56)54-34-31-44(38-50(54)57)59-51-27-15-12-24-45(51)46-25-13-16-28-52(46)59/h1-54H;1-44H;1-39H;3-38H,1-2H3/i;;1D,2D,4D,5D,6D,7D,17D,18D,19D,20D;
InChIKeyFYIYTFNSRBOVOA-AZEHDQAOSA-N
MW3659.89 g/mol
LogP66.39
Rot. Bonds29

About 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline

2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 164984410) has the molecular formula C263H179N9S4Si2 and a molecular weight of 3659.89 g/mol. Its IUPAC name is 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
PubChem CID164984410
Molecular FormulaC263H179N9S4Si2
Molecular Weight3659.89 g/mol
Exact Mass3656.33
IUPAC Name2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc3sc4ccccc4c3c2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)N(c2ccccc2)c2ccccc2N3c2ccc3sc4ccccc4c3c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3cccc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)N(c3cccc5c3sc3ccccc35)c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C79H54N2SSi.C66H44N2SSi.C60H39N3S.C58H42N2S/c1-6-25-55(26-7-1)57-29-22-37-63(51-57)83(62-35-14-5-15-36-62,64-38-23-30-58(52-64)56-27-8-2-9-28-56)65-48-50-73-69(54-65)66-39-16-19-43-72(66)80(73)61-47-49-71-76(53-61)81(75-45-24-41-68-67-40-17-21-46-77(67)82-78(68)75)74-44-20-18-42-70(74)79(71,59-31-10-3-11-32-59)60-33-12-4-13-34-60;1-5-20-45(21-6-1)47-36-39-52(46-22-7-2-8-23-46)55(42-47)48-37-40-58-56(43-48)53-28-13-15-30-57(53)67(58)49-38-41-60-65(44-49)70(50-24-9-3-10-25-50,51-26-11-4-12-27-51)64-35-18-16-31-59(64)68(60)61-32-19-34-63-66(61)54-29-14-17-33-62(54)69-63;1-4-17-40(18-5-1)46-25-16-26-47(41-19-6-2-7-20-41)60(46)42-31-34-53-50(37-42)48-23-10-12-27-52(48)62(53)45-32-35-56-57(39-45)61(43-21-8-3-9-22-43)54-28-13-14-29-55(54)63(56)44-33-36-59-51(38-44)49-24-11-15-30-58(49)64-59;1-57(2)49-36-42(58(39-18-6-3-7-19-39,40-20-8-4-9-21-40)41-22-10-5-11-23-41)30-33-53(49)60(43-32-35-56-48(37-43)47-26-14-17-29-55(47)61-56)54-34-31-44(38-50(54)57)59-51-27-15-12-24-45(51)46-25-13-16-28-52(46)59/h1-54H;1-44H;1-39H;3-38H,1-2H3/i;;1D,2D,4D,5D,6D,7D,17D,18D,19D,20D;
InChIKeyFYIYTFNSRBOVOA-AZEHDQAOSA-N
XLogP66.39
TPSA35.92 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms278
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003659.89
LogP ≤ 566.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 164984410) is 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc3sc4ccccc4c3c2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)N(c2ccccc2)c2ccccc2N3c2ccc3sc4ccccc4c3c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3cccc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)N(c3cccc5c3sc3ccccc35)c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The InChIKey is FYIYTFNSRBOVOA-AZEHDQAOSA-N. The full InChI is InChI=1S/C79H54N2SSi.C66H44N2SSi.C60H39N3S.C58H42N2S/c1-6-25-55(26-7-1)57-29-22-37-63(51-57)83(62-35-14-5-15-36-62,64-38-23-30-58(52-64)56-27-8-2-9-28-56)65-48-50-73-69(54-65)66-39-16-19-43-72(66)80(73)61-47-49-71-76(53-61)81(75-45-24-41-68-67-40-17-21-46-77(67)82-78(68)75)74-44-20-18-42-70(74)79(71,59-31-10-3-11-32-59)60-33-12-4-13-34-60;1-5-20-45(21-6-1)47-36-39-52(46-22-7-2-8-23-46)55(42-47)48-37-40-58-56(43-48)53-28-13-15-30-57(53)67(58)49-38-41-60-65(44-49)70(50-24-9-3-10-25-50,51-26-11-4-12-27-51)64-35-18-16-31-59(64)68(60)61-32-19-34-63-66(61)54-29-14-17-33-62(54)69-63;1-4-17-40(18-5-1)46-25-16-26-47(41-19-6-2-7-20-41)60(46)42-31-34-53-50(37-42)48-23-10-12-27-52(48)62(53)45-32-35-56-57(39-45)61(43-21-8-3-9-22-43)54-28-13-14-29-55(54)63(56)44-33-36-59-51(38-44)49-24-11-15-30-58(49)64-59;1-57(2)49-36-42(58(39-18-6-3-7-19-39,40-20-8-4-9-21-40)41-22-10-5-11-23-41)30-33-53(49)60(43-32-35-56-48(37-43)47-26-14-17-29-55(47)61-56)54-34-31-44(38-50(54)57)59-51-27-15-12-24-45(51)46-25-13-16-28-52(46)59/h1-54H;1-44H;1-39H;3-38H,1-2H3/i;;1D,2D,4D,5D,6D,7D,17D,18D,19D,20D;.
What are the key properties of 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 3659.89 g/mol, XLogP of 66.39, 29 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]-5-dibenzothiophen-2-yl-10-phenylphenazine;2-carbazol-9-yl-10-dibenzothiophen-2-yl-9,9-dimethyl-7-tritylacridine;[9-(10-dibenzothiophen-4-yl-9,9-diphenylacridin-3-yl)carbazol-3-yl]-phenyl-bis(3-phenylphenyl)silane;5-dibenzothiophen-1-yl-2-[3-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 164984410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).