2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine

C55H39GeN3 — CID 140805947

IUPAC2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)c2c(n1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C55H39GeN3/c1-55(2)45-30-16-12-26-39(45)43-35-50-44(34-46(43)55)40-27-14-18-32-48(40)59(50)49-33-19-15-29-42(49)54-57-52(36-20-6-3-7-21-36)51-41-28-13-17-31-47(41)56(53(51)58-54,37-22-8-4-9-23-37)38-24-10-5-11-25-38/h3-35H,1-2H3
InChIKeyADSPXOXWWRBLPY-UHFFFAOYSA-N
MW814.55 g/mol
LogP10.57
Rot. Bonds5

About 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine

2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine (PubChem CID 140805947) has the molecular formula C55H39GeN3 and a molecular weight of 814.55 g/mol. Its IUPAC name is 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
PubChem CID140805947
Molecular FormulaC55H39GeN3
Molecular Weight814.55 g/mol
Exact Mass815.24
IUPAC Name2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)c2c(n1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C55H39GeN3/c1-55(2)45-30-16-12-26-39(45)43-35-50-44(34-46(43)55)40-27-14-18-32-48(40)59(50)49-33-19-15-29-42(49)54-57-52(36-20-6-3-7-21-36)51-41-28-13-17-31-47(41)56(53(51)58-54,37-22-8-4-9-23-37)38-24-10-5-11-25-38/h3-35H,1-2H3
InChIKeyADSPXOXWWRBLPY-UHFFFAOYSA-N
XLogP10.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.55
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine 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-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805888
4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805312
11-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 140805675
2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140805258
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;11-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;4,9,9-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 157290046
2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805545
2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805919
4-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140805585
2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;4,5,5-triphenyl-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 158437354
2,9,9-triphenyl-4-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805565
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;5-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4,9,9-triphenyl-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 160628510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
The IUPAC name of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine (CID 140805947) is 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
The canonical SMILES for 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)c2c(n1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
The InChIKey is ADSPXOXWWRBLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39GeN3/c1-55(2)45-30-16-12-26-39(45)43-35-50-44(34-46(43)55)40-27-14-18-32-48(40)59(50)49-33-19-15-29-42(49)54-57-52(36-20-6-3-7-21-36)51-41-28-13-17-31-47(41)56(53(51)58-54,37-22-8-4-9-23-37)38-24-10-5-11-25-38/h3-35H,1-2H3.
What are the key properties of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine has a molecular weight of 814.55 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine is sourced from PubChem (CID 140805947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).