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

C52H33GeN3S — CID 140805416

IUPAC7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3S/c1-4-16-35(17-5-1)52-54-50(49-51(55-52)41-24-10-13-25-44(41)53(49,36-18-6-2-7-19-36)37-20-8-3-9-21-37)34-28-30-38(31-29-34)56-45-26-14-11-22-39(45)42-32-43-40-23-12-15-27-47(40)57-48(43)33-46(42)56/h1-33H
InChIKeyGTRFRQOWIKFWTI-UHFFFAOYSA-N
MW804.53 g/mol
LogP10.63
Rot. Bonds5

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

7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 140805416) has the molecular formula C52H33GeN3S and a molecular weight of 804.53 g/mol. Its IUPAC name is 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID140805416
Molecular FormulaC52H33GeN3S
Molecular Weight804.53 g/mol
Exact Mass805.16
IUPAC Name7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3S/c1-4-16-35(17-5-1)52-54-50(49-51(55-52)41-24-10-13-25-44(41)53(49,36-18-6-2-7-19-36)37-20-8-3-9-21-37)34-28-30-38(31-29-34)56-45-26-14-11-22-39(45)42-32-43-40-23-12-15-27-47(40)57-48(43)33-46(42)56/h1-33H
InChIKeyGTRFRQOWIKFWTI-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

7-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 140805214
2,5,5-triphenyl-4-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805164
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-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 140805063
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805764
7-[4-[2,6-bis[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 144919691
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
4-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130334427
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 153460253
11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 130333924
7-[3-[6-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630806
11-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 140805675

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole (CID 140805416) is 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is GTRFRQOWIKFWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33GeN3S/c1-4-16-35(17-5-1)52-54-50(49-51(55-52)41-24-10-13-25-44(41)53(49,36-18-6-2-7-19-36)37-20-8-3-9-21-37)34-28-30-38(31-29-34)56-45-26-14-11-22-39(45)42-32-43-40-23-12-15-27-47(40)57-48(43)33-46(42)56/h1-33H.
What are the key properties of 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]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 7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 140805416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).