3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane

C186H124N10S3 — CID 162161551

IUPAC3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc76)c5)n4)c3)cc21.c1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1
InChIInChI=1S/C103H73N5.C82H47N5S3.CH4/c1-101(2)86-34-13-7-28-74(86)77-46-40-64(57-89(77)101)62-44-50-97-84(55-62)81-32-11-17-38-95(81)106(97)71-25-19-22-68(52-71)92-61-93(69-23-20-26-72(53-69)107-96-39-18-12-33-82(96)85-56-63(45-51-98(85)107)65-41-47-78-75-29-8-14-35-87(75)102(3,4)90(78)58-65)105-100(104-92)70-24-21-27-73(54-70)108-94-37-16-10-31-80(94)83-49-43-67(60-99(83)108)66-42-48-79-76-30-9-15-36-88(76)103(5,6)91(79)59-66;1-7-22-69-56(16-1)65-41-48(51-28-34-62-59-19-4-10-25-75(59)88-78(62)44-51)31-37-72(65)85(69)55-15-13-14-54(40-55)68-47-81(86-70-23-8-2-17-57(70)66-42-49(32-38-73(66)86)52-29-35-63-60-20-5-11-26-76(60)89-79(63)45-52)84-82(83-68)87-71-24-9-3-18-58(71)67-43-50(33-39-74(67)87)53-30-36-64-61-21-6-12-27-77(61)90-80(64)46-53;/h7-61H,1-6H3;1-47H;1H4
InChIKeyZMNWVJBXOAKSCB-UHFFFAOYSA-N
MW2595.31 g/mol
LogP50.86
Rot. Bonds16

About 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane

3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane (PubChem CID 162161551) has the molecular formula C186H124N10S3 and a molecular weight of 2595.31 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane
PubChem CID162161551
Molecular FormulaC186H124N10S3
Molecular Weight2595.31 g/mol
Exact Mass2592.92
IUPAC Name3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc76)c5)n4)c3)cc21.c1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1
InChIInChI=1S/C103H73N5.C82H47N5S3.CH4/c1-101(2)86-34-13-7-28-74(86)77-46-40-64(57-89(77)101)62-44-50-97-84(55-62)81-32-11-17-38-95(81)106(97)71-25-19-22-68(52-71)92-61-93(69-23-20-26-72(53-69)107-96-39-18-12-33-82(96)85-56-63(45-51-98(85)107)65-41-47-78-75-29-8-14-35-87(75)102(3,4)90(78)58-65)105-100(104-92)70-24-21-27-73(54-70)108-94-37-16-10-31-80(94)83-49-43-67(60-99(83)108)66-42-48-79-76-30-9-15-36-88(76)103(5,6)91(79)59-66;1-7-22-69-56(16-1)65-41-48(51-28-34-62-59-19-4-10-25-75(59)88-78(62)44-51)31-37-72(65)85(69)55-15-13-14-54(40-55)68-47-81(86-70-23-8-2-17-57(70)66-42-49(32-38-73(66)86)52-29-35-63-60-20-5-11-26-76(60)89-79(63)45-52)84-82(83-68)87-71-24-9-3-18-58(71)67-43-50(33-39-74(67)87)53-30-36-64-61-21-6-12-27-77(61)90-80(64)46-53;/h7-61H,1-6H3;1-47H;1H4
InChIKeyZMNWVJBXOAKSCB-UHFFFAOYSA-N
XLogP50.86
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002595.31
LogP ≤ 550.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane 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

5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160548050
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
9-[7-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630678
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126632745
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
3-dibenzothiophen-4-yl-9-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157441930
3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 158442816

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane?
The IUPAC name of 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane (CID 162161551) is 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane.
What is the SMILES notation for 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane?
The canonical SMILES for 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane is C.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc76)c5)n4)c3)cc21.c1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane?
The InChIKey is ZMNWVJBXOAKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H73N5.C82H47N5S3.CH4/c1-101(2)86-34-13-7-28-74(86)77-46-40-64(57-89(77)101)62-44-50-97-84(55-62)81-32-11-17-38-95(81)106(97)71-25-19-22-68(52-71)92-61-93(69-23-20-26-72(53-69)107-96-39-18-12-33-82(96)85-56-63(45-51-98(85)107)65-41-47-78-75-29-8-14-35-87(75)102(3,4)90(78)58-65)105-100(104-92)70-24-21-27-73(54-70)108-94-37-16-10-31-80(94)83-49-43-67(60-99(83)108)66-42-48-79-76-30-9-15-36-88(76)103(5,6)91(79)59-66;1-7-22-69-56(16-1)65-41-48(51-28-34-62-59-19-4-10-25-75(59)88-78(62)44-51)31-37-72(65)85(69)55-15-13-14-54(40-55)68-47-81(86-70-23-8-2-17-57(70)66-42-49(32-38-73(66)86)52-29-35-63-60-20-5-11-26-76(60)89-79(63)45-52)84-82(83-68)87-71-24-9-3-18-58(71)67-43-50(33-39-74(67)87)53-30-36-64-61-21-6-12-27-77(61)90-80(64)46-53;/h7-61H,1-6H3;1-47H;1H4.
What are the key properties of 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane?
3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane has a molecular weight of 2595.31 g/mol, XLogP of 50.86, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane is sourced from PubChem (CID 162161551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).