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

C52H33GeN3S — CID 140804929

IUPAC5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3S/c1-4-18-34(19-5-1)52-54-49-39-25-10-14-28-42(39)53(35-20-6-2-7-21-35,36-22-8-3-9-23-36)48(49)50(55-52)41-27-12-16-30-44(41)56-43-29-15-11-26-40(43)47-45(56)33-32-38-37-24-13-17-31-46(37)57-51(38)47/h1-33H
InChIKeySTLPJSSANXCBIZ-UHFFFAOYSA-N
MW804.53 g/mol
LogP10.63
Rot. Bonds5

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

5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 140804929) has the molecular formula C52H33GeN3S and a molecular weight of 804.53 g/mol. Its IUPAC name is 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID140804929
Molecular FormulaC52H33GeN3S
Molecular Weight804.53 g/mol
Exact Mass805.16
IUPAC Name5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3S/c1-4-18-34(19-5-1)52-54-49-39-25-10-14-28-42(39)53(35-20-6-2-7-21-35,36-22-8-3-9-23-36)48(49)50(55-52)41-27-12-16-30-44(41)56-43-29-15-11-26-40(43)47-45(56)33-32-38-37-24-13-17-31-46(37)57-51(38)47/h1-33H
InChIKeySTLPJSSANXCBIZ-UHFFFAOYSA-N
XLogP10.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.53
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805619
5-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805697
5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 155462894
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;5-[2-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,9,9-triphenyl-4-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 158105058
4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 157050001
5-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-isocyanophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 153432252
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495517
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 170267952
2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805554
5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 146266146
7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 140805416
11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805704

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 140804929) is 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is STLPJSSANXCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33GeN3S/c1-4-18-34(19-5-1)52-54-49-39-25-10-14-28-42(39)53(35-20-6-2-7-21-35,36-22-8-3-9-23-36)48(49)50(55-52)41-27-12-16-30-44(41)56-43-29-15-11-26-40(43)47-45(56)33-32-38-37-24-13-17-31-46(37)57-51(38)47/h1-33H.
What are the key properties of 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 804.53 g/mol, XLogP of 10.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 140804929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).