5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

C153H94N12O3 — CID 163980543

IUPAC5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc(-c5nc6c7ccccc7oc6c6ccccc56)c4)n3)c2)cc1
InChIInChI=1S/C55H34N4O.2C49H30N4O/c1-2-14-35(15-3-1)37-16-12-17-38(32-37)48-34-47(36-28-30-41(31-29-36)59-49-25-9-6-20-42(49)43-21-7-10-26-50(43)59)56-55(57-48)40-19-13-18-39(33-40)52-44-22-4-5-23-45(44)54-53(58-52)46-24-8-11-27-51(46)60-54;1-2-13-31(14-3-1)41-30-42(51-49(50-41)34-15-12-16-35(29-34)53-43-22-9-6-17-36(43)37-18-7-10-23-44(37)53)32-25-27-33(28-26-32)46-38-19-4-5-20-39(38)48-47(52-46)40-21-8-11-24-45(40)54-48;1-2-12-31(13-3-1)41-30-42(32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)51-49(50-41)34-24-22-33(23-25-34)46-38-16-4-5-17-39(38)48-47(52-46)40-18-8-11-21-45(40)54-48/h1-34H;2*1-30H
InChIKeySXZLLHCSEJAZHA-UHFFFAOYSA-N
MW2148.52 g/mol
LogP39.73
Rot. Bonds16

About 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 163980543) has the molecular formula C153H94N12O3 and a molecular weight of 2148.52 g/mol. Its IUPAC name is 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID163980543
Molecular FormulaC153H94N12O3
Molecular Weight2148.52 g/mol
Exact Mass2146.76
IUPAC Name5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc(-c5nc6c7ccccc7oc6c6ccccc56)c4)n3)c2)cc1
InChIInChI=1S/C55H34N4O.2C49H30N4O/c1-2-14-35(15-3-1)37-16-12-17-38(32-37)48-34-47(36-28-30-41(31-29-36)59-49-25-9-6-20-42(49)43-21-7-10-26-50(43)59)56-55(57-48)40-19-13-18-39(33-40)52-44-22-4-5-23-45(44)54-53(58-52)46-24-8-11-27-51(46)60-54;1-2-13-31(14-3-1)41-30-42(51-49(50-41)34-15-12-16-35(29-34)53-43-22-9-6-17-36(43)37-18-7-10-23-44(37)53)32-25-27-33(28-26-32)46-38-19-4-5-20-39(38)48-47(52-46)40-21-8-11-24-45(40)54-48;1-2-12-31(13-3-1)41-30-42(32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)51-49(50-41)34-24-22-33(23-25-34)46-38-16-4-5-17-39(38)48-47(52-46)40-18-8-11-21-45(40)54-48/h1-34H;2*1-30H
InChIKeySXZLLHCSEJAZHA-UHFFFAOYSA-N
XLogP39.73
TPSA170.22 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.52
LogP ≤ 539.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline 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-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
CID 158049132
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
11-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 163679241
9-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 158622941
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592812
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
CID 146489479
2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 160763595
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (CID 163980543) is 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc(-c5nc6c7ccccc7oc6c6ccccc56)c4)n3)c2)cc1.
What is the InChIKey of 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is SXZLLHCSEJAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O.2C49H30N4O/c1-2-14-35(15-3-1)37-16-12-17-38(32-37)48-34-47(36-28-30-41(31-29-36)59-49-25-9-6-20-42(49)43-21-7-10-26-50(43)59)56-55(57-48)40-19-13-18-39(33-40)52-44-22-4-5-23-45(44)54-53(58-52)46-24-8-11-27-51(46)60-54;1-2-13-31(14-3-1)41-30-42(51-49(50-41)34-15-12-16-35(29-34)53-43-22-9-6-17-36(43)37-18-7-10-23-44(37)53)32-25-27-33(28-26-32)46-38-19-4-5-20-39(38)48-47(52-46)40-21-8-11-24-45(40)54-48;1-2-12-31(13-3-1)41-30-42(32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)51-49(50-41)34-24-22-33(23-25-34)46-38-16-4-5-17-39(38)48-47(52-46)40-18-8-11-21-45(40)54-48/h1-34H;2*1-30H.
What are the key properties of 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 2148.52 g/mol, XLogP of 39.73, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 163980543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).