3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole

C134H86N10O — CID 157182182

IUPAC3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4nccc(-c5ccc6ccoc6c5)n4)ccc32)cc1
InChIInChI=1S/C52H34N4.C42H26N4O.C40H26N2/c1-4-14-35(15-5-1)47-28-29-53-52(54-47)40-31-38(36-24-26-50-45(33-36)43-20-10-12-22-48(43)55(50)41-16-6-2-7-17-41)30-39(32-40)37-25-27-51-46(34-37)44-21-11-13-23-49(44)56(51)42-18-8-3-9-19-42;1-2-9-30(10-3-1)45-36-14-6-4-11-32(36)34-25-28(19-20-38(34)45)31-13-8-16-39-41(31)33-12-5-7-15-37(33)46(39)42-43-23-21-35(44-42)29-18-17-27-22-24-47-40(27)26-29;1-3-12-27(13-4-1)38-26-39(42-40(41-38)28-14-5-2-6-15-28)31-17-11-16-29(24-31)30-22-23-36-34-20-8-7-18-32(34)33-19-9-10-21-35(33)37(36)25-30/h1-34H;1-26H;1-26H
InChIKeyAORQEWVNHOZHLM-UHFFFAOYSA-N
MW1852.23 g/mol
LogP34.69
Rot. Bonds14

About 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole

3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 157182182) has the molecular formula C134H86N10O and a molecular weight of 1852.23 g/mol. Its IUPAC name is 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID157182182
Molecular FormulaC134H86N10O
Molecular Weight1852.23 g/mol
Exact Mass1850.70
IUPAC Name3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4nccc(-c5ccc6ccoc6c5)n4)ccc32)cc1
InChIInChI=1S/C52H34N4.C42H26N4O.C40H26N2/c1-4-14-35(15-5-1)47-28-29-53-52(54-47)40-31-38(36-24-26-50-45(33-36)43-20-10-12-22-48(43)55(50)41-16-6-2-7-17-41)30-39(32-40)37-25-27-51-46(34-37)44-21-11-13-23-49(44)56(51)42-18-8-3-9-19-42;1-2-9-30(10-3-1)45-36-14-6-4-11-32(36)34-25-28(19-20-38(34)45)31-13-8-16-39-41(31)33-12-5-7-15-37(33)46(39)42-43-23-21-35(44-42)29-18-17-27-22-24-47-40(27)26-29;1-3-12-27(13-4-1)38-26-39(42-40(41-38)28-14-5-2-6-15-28)31-17-11-16-29(24-31)30-22-23-36-34-20-8-7-18-32(34)33-19-9-10-21-35(33)37(36)25-30/h1-34H;1-26H;1-26H
InChIKeyAORQEWVNHOZHLM-UHFFFAOYSA-N
XLogP34.69
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.23
LogP ≤ 534.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole (CID 157182182) is 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4nccc(-c5ccc6ccoc6c5)n4)ccc32)cc1.
What is the InChIKey of 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is AORQEWVNHOZHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C42H26N4O.C40H26N2/c1-4-14-35(15-5-1)47-28-29-53-52(54-47)40-31-38(36-24-26-50-45(33-36)43-20-10-12-22-48(43)55(50)41-16-6-2-7-17-41)30-39(32-40)37-25-27-51-46(34-37)44-21-11-13-23-49(44)56(51)42-18-8-3-9-19-42;1-2-9-30(10-3-1)45-36-14-6-4-11-32(36)34-25-28(19-20-38(34)45)31-13-8-16-39-41(31)33-12-5-7-15-37(33)46(39)42-43-23-21-35(44-42)29-18-17-27-22-24-47-40(27)26-29;1-3-12-27(13-4-1)38-26-39(42-40(41-38)28-14-5-2-6-15-28)31-17-11-16-29(24-31)30-22-23-36-34-20-8-7-18-32(34)33-19-9-10-21-35(33)37(36)25-30/h1-34H;1-26H;1-26H.
What are the key properties of 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 1852.23 g/mol, XLogP of 34.69, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(1-benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 157182182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).