4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole

C155H99N9S3 — CID 161021730

IUPAC4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc5ccccc5s4)cc3)cc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc2sc(-c3ccc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)c1
InChIInChI=1S/C64H40N4S.C46H30N2S.C45H29N3S/c1-3-17-50-41(14-1)16-13-22-51(50)42-28-34-45(35-29-42)64-65-56(43-30-32-44(33-31-43)63-38-46-15-2-12-27-62(46)69-63)40-57(66-64)47-36-48(67-58-23-8-4-18-52(58)53-19-5-9-24-59(53)67)39-49(37-47)68-60-25-10-6-20-54(60)55-21-7-11-26-61(55)68;1-2-11-31(12-3-1)40-17-7-8-18-41(40)46-47-42(34-23-21-33(22-24-34)39-19-10-15-32-13-4-6-16-38(32)39)30-43(48-46)35-25-27-36(28-26-35)45-29-37-14-5-9-20-44(37)49-45;1-3-11-39-31(7-1)9-5-12-40(39)32-16-18-33(19-17-32)41-28-42(34-20-22-35(23-21-34)44-27-37-8-2-4-13-43(37)49-44)48-45(47-41)36-24-14-30(15-25-36)38-10-6-26-46-29-38/h1-40H;1-30H;1-29H
InChIKeyTYLSXPDQVHAEFA-UHFFFAOYSA-N
MW2183.76 g/mol
LogP42.46
Rot. Bonds19

About 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole

4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole (PubChem CID 161021730) has the molecular formula C155H99N9S3 and a molecular weight of 2183.76 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole
PubChem CID161021730
Molecular FormulaC155H99N9S3
Molecular Weight2183.76 g/mol
Exact Mass2181.72
IUPAC Name4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc5ccccc5s4)cc3)cc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc2sc(-c3ccc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)c1
InChIInChI=1S/C64H40N4S.C46H30N2S.C45H29N3S/c1-3-17-50-41(14-1)16-13-22-51(50)42-28-34-45(35-29-42)64-65-56(43-30-32-44(33-31-43)63-38-46-15-2-12-27-62(46)69-63)40-57(66-64)47-36-48(67-58-23-8-4-18-52(58)53-19-5-9-24-59(53)67)39-49(37-47)68-60-25-10-6-20-54(60)55-21-7-11-26-61(55)68;1-2-11-31(12-3-1)40-17-7-8-18-41(40)46-47-42(34-23-21-33(22-24-34)39-19-10-15-32-13-4-6-16-38(32)39)30-43(48-46)35-25-27-36(28-26-35)45-29-37-14-5-9-20-44(37)49-45;1-3-11-39-31(7-1)9-5-12-40(39)32-16-18-33(19-17-32)41-28-42(34-20-22-35(23-21-34)44-27-37-8-2-4-13-43(37)49-44)48-45(47-41)36-24-14-30(15-25-36)38-10-6-26-46-29-38/h1-40H;1-30H;1-29H
InChIKeyTYLSXPDQVHAEFA-UHFFFAOYSA-N
XLogP42.46
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.76
LogP ≤ 542.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]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-[3-carbazol-9-yl-5-[2-dibenzothiophen-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422984
9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
9-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-5-pyridin-3-ylphenyl]carbazole
CID 154950092
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 146183218
4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263534
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 160517437
9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
CID 162774177
5-[3-[6-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-2-phenylpyrimidin-4-yl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
CID 145297618
2-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 146183675
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 161259366

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole?
The IUPAC name of 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole (CID 161021730) is 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole.
What is the SMILES notation for 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole?
The canonical SMILES for 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc5ccccc5s4)cc3)cc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc2sc(-c3ccc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)c1.
What is the InChIKey of 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole?
The InChIKey is TYLSXPDQVHAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4S.C46H30N2S.C45H29N3S/c1-3-17-50-41(14-1)16-13-22-51(50)42-28-34-45(35-29-42)64-65-56(43-30-32-44(33-31-43)63-38-46-15-2-12-27-62(46)69-63)40-57(66-64)47-36-48(67-58-23-8-4-18-52(58)53-19-5-9-24-59(53)67)39-49(37-47)68-60-25-10-6-20-54(60)55-21-7-11-26-61(55)68;1-2-11-31(12-3-1)40-17-7-8-18-41(40)46-47-42(34-23-21-33(22-24-34)39-19-10-15-32-13-4-6-16-38(32)39)30-43(48-46)35-25-27-36(28-26-35)45-29-37-14-5-9-20-44(37)49-45;1-3-11-39-31(7-1)9-5-12-40(39)32-16-18-33(19-17-32)41-28-42(34-20-22-35(23-21-34)44-27-37-8-2-4-13-43(37)49-44)48-45(47-41)36-24-14-30(15-25-36)38-10-6-26-46-29-38/h1-40H;1-30H;1-29H.
What are the key properties of 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole?
4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole has a molecular weight of 2183.76 g/mol, XLogP of 42.46, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 161021730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).