11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C52H33GeN3O — CID 140805704

IUPAC11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3O/c1-4-18-34(19-5-1)52-54-50-39-26-10-14-28-43(39)53(35-20-6-2-7-21-35,36-22-8-3-9-23-36)49(50)51(55-52)40-27-12-16-30-45(40)56-44-29-15-11-24-37(44)41-33-48-42(32-46(41)56)38-25-13-17-31-47(38)57-48/h1-33H
InChIKeyPUFJGYNEQIFJPF-UHFFFAOYSA-N
MW788.47 g/mol
LogP10.16
Rot. Bonds5

About 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 140805704) has the molecular formula C52H33GeN3O and a molecular weight of 788.47 g/mol. Its IUPAC name is 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID140805704
Molecular FormulaC52H33GeN3O
Molecular Weight788.47 g/mol
Exact Mass789.18
IUPAC Name11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3O/c1-4-18-34(19-5-1)52-54-50-39-26-10-14-28-43(39)53(35-20-6-2-7-21-35,36-22-8-3-9-23-36)49(50)51(55-52)40-27-12-16-30-45(40)56-44-29-15-11-24-37(44)41-33-48-42(32-46(41)56)38-25-13-17-31-47(38)57-48/h1-33H
InChIKeyPUFJGYNEQIFJPF-UHFFFAOYSA-N
XLogP10.16
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.47
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 140805659
11-[4-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;4,5,5-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 162188506
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
11-[2-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805133
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805764
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
11-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 153460409
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542552
11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 130327477

Frequently Asked Questions

What is the IUPAC name of 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 140805704) is 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is PUFJGYNEQIFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33GeN3O/c1-4-18-34(19-5-1)52-54-50-39-26-10-14-28-43(39)53(35-20-6-2-7-21-35,36-22-8-3-9-23-36)49(50)51(55-52)40-27-12-16-30-45(40)56-44-29-15-11-24-37(44)41-33-48-42(32-46(41)56)38-25-13-17-31-47(38)57-48/h1-33H.
What are the key properties of 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 788.47 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 140805704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).