11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole

C46H29GeN3S — CID 140805063

IUPAC11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)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)36-29-42-37(28-40(36)50)34-23-12-15-27-41(34)51-42/h1-29H
InChIKeyHEARZNCRAAGJBG-UHFFFAOYSA-N
MW728.44 g/mol
LogP8.97
Rot. Bonds4

About 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole

11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 140805063) has the molecular formula C46H29GeN3S and a molecular weight of 728.44 g/mol. Its IUPAC name is 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID140805063
Molecular FormulaC46H29GeN3S
Molecular Weight728.44 g/mol
Exact Mass729.13
IUPAC Name11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)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)36-29-42-37(28-40(36)50)34-23-12-15-27-41(34)51-42/h1-29H
InChIKeyHEARZNCRAAGJBG-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 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole with MolForge

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Related Compounds

7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 140805214
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
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805764
11-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 140805675
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 147883885
2,5,5-triphenyl-4-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805164
11-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-4-yl)-[1]benzothiolo[3,2-b]carbazole
CID 138569013
8-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164811888
2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805822

Frequently Asked Questions

What is the IUPAC name of 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole (CID 140805063) is 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is HEARZNCRAAGJBG-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)36-29-42-37(28-40(36)50)34-23-12-15-27-41(34)51-42/h1-29H.
What are the key properties of 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-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 11-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 140805063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).