2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole

C156H99N9O2S — CID 158442351

IUPAC2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c3)nc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/2C52H33N3O.C52H33N3S/c1-3-15-34(16-4-1)35-17-12-21-39(32-35)49-48-45-26-7-9-29-46(45)55(41-23-5-2-6-24-41)52(48)54-51(53-49)40-22-13-19-37(33-40)36-18-11-20-38(31-36)42-27-14-28-44-43-25-8-10-30-47(43)56-50(42)44;1-3-14-36(15-4-1)49-48-45-23-7-9-26-46(45)55(41-20-5-2-6-21-41)52(48)54-51(53-49)40-19-12-18-39(33-40)38-17-11-16-37(32-38)34-28-30-35(31-29-34)42-24-13-25-44-43-22-8-10-27-47(43)56-50(42)44;1-3-15-34(16-4-1)35-17-12-21-39(32-35)49-48-45-26-7-9-29-46(45)55(41-23-5-2-6-24-41)52(48)54-51(53-49)40-22-13-19-37(33-40)36-18-11-20-38(31-36)42-27-14-28-44-43-25-8-10-30-47(43)56-50(42)44/h3*1-33H
InChIKeyHCYYXQLLQRJSFO-UHFFFAOYSA-N
MW2163.64 g/mol
LogP41.89
Rot. Bonds18

About 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole

2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole (PubChem CID 158442351) has the molecular formula C156H99N9O2S and a molecular weight of 2163.64 g/mol. Its IUPAC name is 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole.

Molecular Properties

Compound Name2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole
PubChem CID158442351
Molecular FormulaC156H99N9O2S
Molecular Weight2163.64 g/mol
Exact Mass2161.76
IUPAC Name2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c3)nc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/2C52H33N3O.C52H33N3S/c1-3-15-34(16-4-1)35-17-12-21-39(32-35)49-48-45-26-7-9-29-46(45)55(41-23-5-2-6-24-41)52(48)54-51(53-49)40-22-13-19-37(33-40)36-18-11-20-38(31-36)42-27-14-28-44-43-25-8-10-30-47(43)56-50(42)44;1-3-14-36(15-4-1)49-48-45-23-7-9-26-46(45)55(41-20-5-2-6-21-41)52(48)54-51(53-49)40-19-12-18-39(33-40)38-17-11-16-37(32-38)34-28-30-35(31-29-34)42-24-13-25-44-43-22-8-10-27-47(43)56-50(42)44;1-3-15-34(16-4-1)35-17-12-21-39(32-35)49-48-45-26-7-9-29-46(45)55(41-23-5-2-6-24-41)52(48)54-51(53-49)40-22-13-19-37(33-40)36-18-11-20-38(31-36)42-27-14-28-44-43-25-8-10-30-47(43)56-50(42)44/h3*1-33H
InChIKeyHCYYXQLLQRJSFO-UHFFFAOYSA-N
XLogP41.89
TPSA118.41 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002163.64
LogP ≤ 541.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole 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

2-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010769
4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
CID 159635369
4-(3-dibenzofuran-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrimido[4,5-b]indole
CID 154010794
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158087243
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-dibenzofuran-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165073222
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine;2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
CID 159915916
2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697
4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 160619996
4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 158901392
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The IUPAC name of 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole (CID 158442351) is 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole.
What is the SMILES notation for 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The canonical SMILES for 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c3)nc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The InChIKey is HCYYXQLLQRJSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N3O.C52H33N3S/c1-3-15-34(16-4-1)35-17-12-21-39(32-35)49-48-45-26-7-9-29-46(45)55(41-23-5-2-6-24-41)52(48)54-51(53-49)40-22-13-19-37(33-40)36-18-11-20-38(31-36)42-27-14-28-44-43-25-8-10-30-47(43)56-50(42)44;1-3-14-36(15-4-1)49-48-45-23-7-9-26-46(45)55(41-20-5-2-6-21-41)52(48)54-51(53-49)40-19-12-18-39(33-40)38-17-11-16-37(32-38)34-28-30-35(31-29-34)42-24-13-25-44-43-22-8-10-27-47(43)56-50(42)44;1-3-15-34(16-4-1)35-17-12-21-39(32-35)49-48-45-26-7-9-29-46(45)55(41-23-5-2-6-24-41)52(48)54-51(53-49)40-22-13-19-37(33-40)36-18-11-20-38(31-36)42-27-14-28-44-43-25-8-10-30-47(43)56-50(42)44/h3*1-33H.
What are the key properties of 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole has a molecular weight of 2163.64 g/mol, XLogP of 41.89, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole is sourced from PubChem (CID 158442351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).