7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole

C46H29GeN3S — CID 140805214

IUPAC7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H29GeN3S/c1-4-16-30(17-5-1)44-43-45(35-24-10-13-25-38(35)47(43,31-18-6-2-7-19-31)32-20-8-3-9-21-32)49-46(48-44)50-39-26-14-11-22-33(39)36-28-37-34-23-12-15-27-41(34)51-42(37)29-40(36)50/h1-29H
InChIKeyAKCWLFJPIISFJV-UHFFFAOYSA-N
MW728.44 g/mol
LogP8.97
Rot. Bonds4

About 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole

7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 140805214) has the molecular formula C46H29GeN3S and a molecular weight of 728.44 g/mol. Its IUPAC name is 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID140805214
Molecular FormulaC46H29GeN3S
Molecular Weight728.44 g/mol
Exact Mass729.13
IUPAC Name7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H29GeN3S/c1-4-16-30(17-5-1)44-43-45(35-24-10-13-25-38(35)47(43,31-18-6-2-7-19-31)32-20-8-3-9-21-32)49-46(48-44)50-39-26-14-11-22-33(39)36-28-37-34-23-12-15-27-41(34)51-42(37)29-40(36)50/h1-29H
InChIKeyAKCWLFJPIISFJV-UHFFFAOYSA-N
XLogP8.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.44
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 140805063
7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 140805416
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
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805764
2,5,5-triphenyl-4-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805164
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 166563520
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
11-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 140805675
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
10-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 171730090
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 134224667

Frequently Asked Questions

What is the IUPAC name of 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole (CID 140805214) is 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is AKCWLFJPIISFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29GeN3S/c1-4-16-30(17-5-1)44-43-45(35-24-10-13-25-38(35)47(43,31-18-6-2-7-19-31)32-20-8-3-9-21-32)49-46(48-44)50-39-26-14-11-22-33(39)36-28-37-34-23-12-15-27-41(34)51-42(37)29-40(36)50/h1-29H.
What are the key properties of 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 728.44 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 140805214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).