[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane

C52H36GeN4 — CID 170681775

IUPAC[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C52H36GeN4/c1-4-20-38(21-5-1)53(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)46-36-51(56-47-31-14-10-27-42(47)43-28-11-15-32-48(43)56)55-52(54-46)57-49-33-16-12-29-44(49)45-30-13-17-34-50(45)57/h1-36H
InChIKeyCMPIVHNMAGOPDP-UHFFFAOYSA-N
MW789.50 g/mol
LogP9.72
Rot. Bonds7

About [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane

[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane (PubChem CID 170681775) has the molecular formula C52H36GeN4 and a molecular weight of 789.50 g/mol. Its IUPAC name is [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane.

Molecular Properties

Compound Name[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane
PubChem CID170681775
Molecular FormulaC52H36GeN4
Molecular Weight789.50 g/mol
Exact Mass790.22
IUPAC Name[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C52H36GeN4/c1-4-20-38(21-5-1)53(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)46-36-51(56-47-31-14-10-27-42(47)43-28-11-15-32-48(43)56)55-52(54-46)57-49-33-16-12-29-44(49)45-30-13-17-34-50(45)57/h1-36H
InChIKeyCMPIVHNMAGOPDP-UHFFFAOYSA-N
XLogP9.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.50
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943440
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943683
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 169031891
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 169031810
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873
3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
CID 169021296
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 160561828
12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 166922873
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567

Frequently Asked Questions

What is the IUPAC name of [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane?
The IUPAC name of [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane (CID 170681775) is [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane.
What is the SMILES notation for [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane?
The canonical SMILES for [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane is c1ccc([Ge](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane?
The InChIKey is CMPIVHNMAGOPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36GeN4/c1-4-20-38(21-5-1)53(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)46-36-51(56-47-31-14-10-27-42(47)43-28-11-15-32-48(43)56)55-52(54-46)57-49-33-16-12-29-44(49)45-30-13-17-34-50(45)57/h1-36H.
What are the key properties of [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane?
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane has a molecular weight of 789.50 g/mol, XLogP of 9.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane is sourced from PubChem (CID 170681775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).