2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine

C55H39GeN3 — CID 140805919

IUPAC2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)[Ge](c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c21
InChIInChI=1S/C55H39GeN3/c1-55(2)45-30-15-12-28-43(45)49-46(55)34-33-42-41-27-14-17-32-48(41)59(52(42)49)40-26-18-21-37(35-40)54-57-51(36-19-6-3-7-20-36)50-44-29-13-16-31-47(44)56(53(50)58-54,38-22-8-4-9-23-38)39-24-10-5-11-25-39/h3-35H,1-2H3
InChIKeyYOEAOAFVWXZOAF-UHFFFAOYSA-N
MW814.55 g/mol
LogP10.57
Rot. Bonds5

About 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine

2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine (PubChem CID 140805919) has the molecular formula C55H39GeN3 and a molecular weight of 814.55 g/mol. Its IUPAC name is 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
PubChem CID140805919
Molecular FormulaC55H39GeN3
Molecular Weight814.55 g/mol
Exact Mass815.24
IUPAC Name2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)[Ge](c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c21
InChIInChI=1S/C55H39GeN3/c1-55(2)45-30-15-12-28-43(45)49-46(55)34-33-42-41-27-14-17-32-48(41)59(52(42)49)40-26-18-21-37(35-40)54-57-51(36-19-6-3-7-20-36)50-44-29-13-16-31-47(44)56(53(50)58-54,38-22-8-4-9-23-38)39-24-10-5-11-25-39/h3-35H,1-2H3
InChIKeyYOEAOAFVWXZOAF-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

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Related Compounds

4,9,9-triphenyl-2-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805894
4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805312
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805226
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805366
2,9,9-triphenyl-4-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805565
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
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
12-[3-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805957
2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805947
2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805545

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
The IUPAC name of 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine (CID 140805919) is 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
The canonical SMILES for 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)[Ge](c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c21.
What is the InChIKey of 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
The InChIKey is YOEAOAFVWXZOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39GeN3/c1-55(2)45-30-15-12-28-43(45)49-46(55)34-33-42-41-27-14-17-32-48(41)59(52(42)49)40-26-18-21-37(35-40)54-57-51(36-19-6-3-7-20-36)50-44-29-13-16-31-47(44)56(53(50)58-54,38-22-8-4-9-23-38)39-24-10-5-11-25-39/h3-35H,1-2H3.
What are the key properties of 2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine?
2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-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-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine is sourced from PubChem (CID 140805919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).