[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane

C144H100N12Si3 — CID 158316702

IUPAC[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
SMILESN#Cc1ccccc1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C52H36N4Si.C46H31N5Si.C46H33N3Si/c1-4-20-38(21-5-1)57(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)46-36-51(55-47-31-14-10-27-42(47)43-28-11-15-32-48(43)55)54-52(53-46)56-49-33-16-12-29-44(49)45-30-13-17-34-50(45)56;47-32-34-17-10-11-26-39(34)45-48-44(49-46(50-45)51-42-29-14-12-27-40(42)41-28-13-15-30-43(41)51)33-18-16-25-38(31-33)52(35-19-4-1-5-20-35,36-21-6-2-7-22-36)37-23-8-3-9-24-37;1-5-18-34(19-6-1)42-33-43(48-46(47-42)49-44-30-15-13-28-40(44)41-29-14-16-31-45(41)49)35-20-17-27-39(32-35)50(36-21-7-2-8-22-36,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-36H;1-31H;1-33H
InChIKeyGOIPBMRWYOQPTQ-UHFFFAOYSA-N
MW2082.73 g/mol
LogP25.55
Rot. Bonds21

About [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane

[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (PubChem CID 158316702) has the molecular formula C144H100N12Si3 and a molecular weight of 2082.73 g/mol. Its IUPAC name is [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
PubChem CID158316702
Molecular FormulaC144H100N12Si3
Molecular Weight2082.73 g/mol
Exact Mass2080.75
IUPAC Name[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
SMILESN#Cc1ccccc1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C52H36N4Si.C46H31N5Si.C46H33N3Si/c1-4-20-38(21-5-1)57(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)46-36-51(55-47-31-14-10-27-42(47)43-28-11-15-32-48(43)55)54-52(53-46)56-49-33-16-12-29-44(49)45-30-13-17-34-50(45)56;47-32-34-17-10-11-26-39(34)45-48-44(49-46(50-45)51-42-29-14-12-27-40(42)41-28-13-15-30-43(41)51)33-18-16-25-38(31-33)52(35-19-4-1-5-20-35,36-21-6-2-7-22-36)37-23-8-3-9-24-37;1-5-18-34(19-6-1)42-33-43(48-46(47-42)49-44-30-15-13-28-40(44)41-29-14-16-31-45(41)49)35-20-17-27-39(32-35)50(36-21-7-2-8-22-36,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-36H;1-31H;1-33H
InChIKeyGOIPBMRWYOQPTQ-UHFFFAOYSA-N
XLogP25.55
TPSA133.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002082.73
LogP ≤ 525.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane with MolForge

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Related Compounds

[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane
CID 158779679
[3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 157212268
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 169031810
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 169031891
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166016230
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
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
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-[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
[3-[2-(3-deuterio-6-methylcarbazol-9-yl)-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 164963232
[3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 157059372

Frequently Asked Questions

What is the IUPAC name of [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (CID 158316702) is [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is N#Cc1ccccc1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
The InChIKey is GOIPBMRWYOQPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4Si.C46H31N5Si.C46H33N3Si/c1-4-20-38(21-5-1)57(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-18-19-37(35-41)46-36-51(55-47-31-14-10-27-42(47)43-28-11-15-32-48(43)55)54-52(53-46)56-49-33-16-12-29-44(49)45-30-13-17-34-50(45)56;47-32-34-17-10-11-26-39(34)45-48-44(49-46(50-45)51-42-29-14-12-27-40(42)41-28-13-15-30-43(41)51)33-18-16-25-38(31-33)52(35-19-4-1-5-20-35,36-21-6-2-7-22-36)37-23-8-3-9-24-37;1-5-18-34(19-6-1)42-33-43(48-46(47-42)49-44-30-15-13-28-40(44)41-29-14-16-31-45(41)49)35-20-17-27-39(32-35)50(36-21-7-2-8-22-36,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-36H;1-31H;1-33H.
What are the key properties of [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane has a molecular weight of 2082.73 g/mol, XLogP of 25.55, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 158316702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).