[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane

C112H78N4Si2 — CID 169031856

IUPAC[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc([Si](c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C112H78N4Si2/c1-8-28-79(29-9-1)86-48-61-94(62-49-86)117(95-63-50-87(51-64-95)80-30-10-2-11-31-80,96-65-52-88(53-66-96)81-32-12-3-13-33-81)100-74-93(106-78-111(115-107-45-25-22-42-102(107)103-43-23-26-46-108(103)115)114-112(113-106)116-109-47-27-24-44-104(109)105-76-92(60-73-110(105)116)85-40-20-7-21-41-85)75-101(77-100)118(97-67-54-89(55-68-97)82-34-14-4-15-35-82,98-69-56-90(57-70-98)83-36-16-5-17-37-83)99-71-58-91(59-72-99)84-38-18-6-19-39-84/h1-78H
InChIKeyCAQDPAFENGMQNY-UHFFFAOYSA-N
MW1536.06 g/mol
LogP22.76
Rot. Bonds18

About [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane

[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane (PubChem CID 169031856) has the molecular formula C112H78N4Si2 and a molecular weight of 1536.06 g/mol. Its IUPAC name is [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane.

Molecular Properties

Compound Name[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
PubChem CID169031856
Molecular FormulaC112H78N4Si2
Molecular Weight1536.06 g/mol
Exact Mass1534.58
IUPAC Name[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc([Si](c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C112H78N4Si2/c1-8-28-79(29-9-1)86-48-61-94(62-49-86)117(95-63-50-87(51-64-95)80-30-10-2-11-31-80,96-65-52-88(53-66-96)81-32-12-3-13-33-81)100-74-93(106-78-111(115-107-45-25-22-42-102(107)103-43-23-26-46-108(103)115)114-112(113-106)116-109-47-27-24-44-104(109)105-76-92(60-73-110(105)116)85-40-20-7-21-41-85)75-101(77-100)118(97-67-54-89(55-68-97)82-34-14-4-15-35-82,98-69-56-90(57-70-98)83-36-16-5-17-37-83)99-71-58-91(59-72-99)84-38-18-6-19-39-84/h1-78H
InChIKeyCAQDPAFENGMQNY-UHFFFAOYSA-N
XLogP22.76
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001536.06
LogP ≤ 522.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
[3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
CID 169031743
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031844
[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 169282017
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031827
[3-[2,6-bis(3-methylcarbazol-9-yl)pyrimidin-4-yl]-5-methylphenyl]-triphenylsilane
CID 174181949
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
CID 169031868
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
CID 169031756
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
[4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 169282069

Frequently Asked Questions

What is the IUPAC name of [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?
The IUPAC name of [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane (CID 169031856) is [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane.
What is the SMILES notation for [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?
The canonical SMILES for [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc([Si](c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?
The InChIKey is CAQDPAFENGMQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H78N4Si2/c1-8-28-79(29-9-1)86-48-61-94(62-49-86)117(95-63-50-87(51-64-95)80-30-10-2-11-31-80,96-65-52-88(53-66-96)81-32-12-3-13-33-81)100-74-93(106-78-111(115-107-45-25-22-42-102(107)103-43-23-26-46-108(103)115)114-112(113-106)116-109-47-27-24-44-104(109)105-76-92(60-73-110(105)116)85-40-20-7-21-41-85)75-101(77-100)118(97-67-54-89(55-68-97)82-34-14-4-15-35-82,98-69-56-90(57-70-98)83-36-16-5-17-37-83)99-71-58-91(59-72-99)84-38-18-6-19-39-84/h1-78H.
What are the key properties of [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?
[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane has a molecular weight of 1536.06 g/mol, XLogP of 22.76, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane is sourced from PubChem (CID 169031856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).