4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole

C194H138N8O2S6 — CID 157457724

About 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole

4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole (PubChem CID 157457724) has the molecular formula C194H138N8O2S6 and a molecular weight of 2805.69 g/mol. Its IUPAC name is 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
• PubChem CID: 157457724
• Molecular Formula: C194H138N8O2S6
• Molecular Weight: 2805.69 g/mol
• Exact Mass: 2802.93
• IUPAC Name: 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
• SMILES: CCN(CC)c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccc(N(CC)CC)cc4)cc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1.COc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccc(OC)cc4)cc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6c(C)cccc67)ccc4n5-c4ccc(C)cc4)cc3c3cc(-c4cccc5c4sc4c(C)cccc45)ccc32)cc1
• InChI: InChI=1S/C68H54N4S2.C64H44N2S2.C62H40N2O2S2/c1-5-69(6-2)47-27-31-49(32-28-47)71-61-35-23-43(39-57(61)59-41-45(25-37-63(59)71)51-17-13-19-55-53-15-9-11-21-65(53)73-67(51)55)44-24-36-62-58(40-44)60-42-46(52-18-14-20-56-54-16-10-12-22-66(54)74-68(52)56)26-38-64(60)72(62)50-33-29-48(30-34-50)70(7-3)8-4;1-37-17-25-45(26-18-37)65-57-29-21-41(33-53(57)55-35-43(23-31-59(55)65)47-11-7-15-51-49-13-5-9-39(3)61(49)67-63(47)51)42-22-30-58-54(34-42)56-36-44(24-32-60(56)66(58)46-27-19-38(2)20-28-46)48-12-8-16-52-50-14-6-10-40(4)62(50)68-64(48)52;1-65-43-25-21-41(22-26-43)63-55-29-17-37(33-51(55)53-35-39(19-31-57(53)63)45-11-7-13-49-47-9-3-5-15-59(47)67-61(45)49)38-18-30-56-52(34-38)54-36-40(20-32-58(54)64(56)42-23-27-44(66-2)28-24-42)46-12-8-14-50-48-10-4-6-16-60(48)68-62(46)50/h9-42H,5-8H2,1-4H3;5-36H,1-4H3;3-36H,1-2H3
• InChIKey: BTOFLDMJFIHGGN-UHFFFAOYSA-N
• XLogP: 55.80
• TPSA: 54.52 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2805.69
LogP ≤ 5	55.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?

The IUPAC name of 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole (CID 157457724) is 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole.

What is the SMILES notation for 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?

The canonical SMILES for 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole is CCN(CC)c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccc(N(CC)CC)cc4)cc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1.COc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccc(OC)cc4)cc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6c(C)cccc67)ccc4n5-c4ccc(C)cc4)cc3c3cc(-c4cccc5c4sc4c(C)cccc45)ccc32)cc1.

What is the InChIKey of 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?

The InChIKey is BTOFLDMJFIHGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N4S2.C64H44N2S2.C62H40N2O2S2/c1-5-69(6-2)47-27-31-49(32-28-47)71-61-35-23-43(39-57(61)59-41-45(25-37-63(59)71)51-17-13-19-55-53-15-9-11-21-65(53)73-67(51)55)44-24-36-62-58(40-44)60-42-46(52-18-14-20-56-54-16-10-12-22-66(54)74-68(52)56)26-38-64(60)72(62)50-33-29-48(30-34-50)70(7-3)8-4;1-37-17-25-45(26-18-37)65-57-29-21-41(33-53(57)55-35-43(23-31-59(55)65)47-11-7-15-51-49-13-5-9-39(3)61(49)67-63(47)51)42-22-30-58-54(34-42)56-36-44(24-32-60(56)66(58)46-27-19-38(2)20-28-46)48-12-8-16-52-50-14-6-10-40(4)62(50)68-64(48)52;1-65-43-25-21-41(22-26-43)63-55-29-17-37(33-51(55)53-35-39(19-31-57(53)63)45-11-7-13-49-47-9-3-5-15-59(47)67-61(45)49)38-18-30-56-52(34-38)54-36-40(20-32-58(54)64(56)42-23-27-44(66-2)28-24-42)46-12-8-14-50-48-10-4-6-16-60(48)68-62(46)50/h9-42H,5-8H2,1-4H3;5-36H,1-4H3;3-36H,1-2H3.

What are the key properties of 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?

4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole has a molecular weight of 2805.69 g/mol, XLogP of 55.80, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 157457724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).