12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole

C46H29GeN3S — CID 140804938

IUPAC12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H29GeN3S/c1-4-16-30(17-5-1)45-48-44-42(35-23-10-13-25-37(35)47(44,31-18-6-2-7-19-31)32-20-8-3-9-21-32)46(49-45)50-38-26-14-11-22-33(38)34-28-29-40-41(43(34)50)36-24-12-15-27-39(36)51-40/h1-29H
InChIKeyNSGUYOADTBKYBF-UHFFFAOYSA-N
MW728.44 g/mol
LogP8.97
Rot. Bonds4

About 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole

12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole (PubChem CID 140804938) has the molecular formula C46H29GeN3S and a molecular weight of 728.44 g/mol. Its IUPAC name is 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole
PubChem CID140804938
Molecular FormulaC46H29GeN3S
Molecular Weight728.44 g/mol
Exact Mass729.13
IUPAC Name12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H29GeN3S/c1-4-16-30(17-5-1)45-48-44-42(35-23-10-13-25-37(35)47(44,31-18-6-2-7-19-31)32-20-8-3-9-21-32)46(49-45)50-38-26-14-11-22-33(38)34-28-29-40-41(43(34)50)36-24-12-15-27-39(36)51-40/h1-29H
InChIKeyNSGUYOADTBKYBF-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 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole with MolForge

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Related Compounds

12-[3-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805957
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805366
5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805619
12-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-a]carbazole
CID 153460175
11-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 140805675
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 164960183
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 147976679
12-[2-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130333571
4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[4-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138712823
4,9,9-triphenyl-2-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805894
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzothiol-10-yl]-[1]benzothiolo[3,2-a]carbazole
CID 154968575
12-[3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 154946600

Frequently Asked Questions

What is the IUPAC name of 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole (CID 140804938) is 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is NSGUYOADTBKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29GeN3S/c1-4-16-30(17-5-1)45-48-44-42(35-23-10-13-25-37(35)47(44,31-18-6-2-7-19-31)32-20-8-3-9-21-32)46(49-45)50-38-26-14-11-22-33(38)34-28-29-40-41(43(34)50)36-24-12-15-27-39(36)51-40/h1-29H.
What are the key properties of 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole?
12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]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 12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 140804938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).