4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine

C52H34GeN4 — CID 140804880

IUPAC4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H34GeN4/c1-5-19-35(20-6-1)49-48-41-28-13-16-30-43(41)53(36-21-7-2-8-22-36,37-23-9-3-10-24-37)51(48)55-52(54-49)57-45-32-18-15-29-42(45)47-46(57)34-33-40-39-27-14-17-31-44(39)56(50(40)47)38-25-11-4-12-26-38/h1-34H
InChIKeyAOYRXDMEVBAYTK-UHFFFAOYSA-N
MW787.48 g/mol
LogP9.70
Rot. Bonds5

About 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine

4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine (PubChem CID 140804880) has the molecular formula C52H34GeN4 and a molecular weight of 787.48 g/mol. Its IUPAC name is 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine
PubChem CID140804880
Molecular FormulaC52H34GeN4
Molecular Weight787.48 g/mol
Exact Mass788.20
IUPAC Name4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H34GeN4/c1-5-19-35(20-6-1)49-48-41-28-13-16-30-43(41)53(36-21-7-2-8-22-36,37-23-9-3-10-24-37)51(48)55-52(54-49)57-45-32-18-15-29-42(45)47-46(57)34-33-40-39-27-14-17-31-44(39)56(50(40)47)38-25-11-4-12-26-38/h1-34H
InChIKeyAOYRXDMEVBAYTK-UHFFFAOYSA-N
XLogP9.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.48
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805226
4,5,5-triphenyl-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805863
4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzosilolo[2,3-d]pyrimidine
CID 140805543
14-[4-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140805389
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805366
2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805919
5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805619
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
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
2,9,9-triphenyl-4-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805565
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;4,9,9-triphenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine
CID 159735009

Frequently Asked Questions

What is the IUPAC name of 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine?
The IUPAC name of 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine (CID 140804880) is 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine.
What is the SMILES notation for 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine?
The canonical SMILES for 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine is c1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine?
The InChIKey is AOYRXDMEVBAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34GeN4/c1-5-19-35(20-6-1)49-48-41-28-13-16-30-43(41)53(36-21-7-2-8-22-36,37-23-9-3-10-24-37)51(48)55-52(54-49)57-45-32-18-15-29-42(45)47-46(57)34-33-40-39-27-14-17-31-44(39)56(50(40)47)38-25-11-4-12-26-38/h1-34H.
What are the key properties of 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine?
4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine has a molecular weight of 787.48 g/mol, XLogP of 9.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine is sourced from PubChem (CID 140804880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).