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

C55H39GeN3 — CID 140805545

IUPAC2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C55H39GeN3/c1-55(2)46-30-15-12-27-41(46)44-35-50-45(34-47(44)55)42-28-14-17-32-49(42)59(50)40-26-18-21-37(33-40)54-57-52(36-19-6-3-7-20-36)51-53(58-54)43-29-13-16-31-48(43)56(51,38-22-8-4-9-23-38)39-24-10-5-11-25-39/h3-35H,1-2H3
InChIKeyRSPOCJQSGIGPIC-UHFFFAOYSA-N
MW814.55 g/mol
LogP10.57
Rot. Bonds5

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

2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine (PubChem CID 140805545) has the molecular formula C55H39GeN3 and a molecular weight of 814.55 g/mol. Its IUPAC name is 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
PubChem CID140805545
Molecular FormulaC55H39GeN3
Molecular Weight814.55 g/mol
Exact Mass815.24
IUPAC Name2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C55H39GeN3/c1-55(2)46-30-15-12-27-41(46)44-35-50-45(34-47(44)55)42-28-14-17-32-49(42)59(50)40-26-18-21-37(33-40)54-57-52(36-19-6-3-7-20-36)51-53(58-54)43-29-13-16-31-48(43)56(51,38-22-8-4-9-23-38)39-24-10-5-11-25-39/h3-35H,1-2H3
InChIKeyRSPOCJQSGIGPIC-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

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
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805764
4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805312
2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805888
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163991530
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
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
2,5,5-triphenyl-4-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805164
2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805947
7-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,4,5,5-tetraphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 164730489
4,5,5-triphenyl-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805863
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951

Frequently Asked Questions

What is the IUPAC name of 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?
The IUPAC name of 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine (CID 140805545) is 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?
The InChIKey is RSPOCJQSGIGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39GeN3/c1-55(2)46-30-15-12-27-41(46)44-35-50-45(34-47(44)55)42-28-14-17-32-49(42)59(50)40-26-18-21-37(33-40)54-57-52(36-19-6-3-7-20-36)51-53(58-54)43-29-13-16-31-48(43)56(51,38-22-8-4-9-23-38)39-24-10-5-11-25-39/h3-35H,1-2H3.
What are the key properties of 2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?
2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-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-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine is sourced from PubChem (CID 140805545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).