3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane

C122H90N8Si — CID 157487848

IUPAC3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane
SMILESCC(C)(C)c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.C[Si](C)(c1ccccc1)c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc54)n3)c2)cc1
InChIInChI=1S/C66H48N4Si.C56H42N4/c1-71(2,55-23-10-5-11-24-55)56-33-29-47(30-34-56)48-21-16-22-51(39-48)61-37-38-67-66(68-61)70-63-28-15-13-26-58(63)60-44-50(32-36-65(60)70)49-31-35-64-59(43-49)57-25-12-14-27-62(57)69(64)54-41-52(45-17-6-3-7-18-45)40-53(42-54)46-19-8-4-9-20-46;1-56(2,3)44-28-24-38(25-29-44)37-20-22-39(23-21-37)40-12-11-13-43(34-40)50-32-33-57-55(58-50)60-52-19-10-8-17-47(52)49-36-42(27-31-54(49)60)41-26-30-53-48(35-41)46-16-7-9-18-51(46)59(53)45-14-5-4-6-15-45/h3-44H,1-2H3;4-36H,1-3H3
InChIKeyBWXRTJBMONSMSR-UHFFFAOYSA-N
MW1696.20 g/mol
LogP30.46
Rot. Bonds15

About 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane

3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane (PubChem CID 157487848) has the molecular formula C122H90N8Si and a molecular weight of 1696.20 g/mol. Its IUPAC name is 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane
PubChem CID157487848
Molecular FormulaC122H90N8Si
Molecular Weight1696.20 g/mol
Exact Mass1694.71
IUPAC Name3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane
SMILESCC(C)(C)c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.C[Si](C)(c1ccccc1)c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc54)n3)c2)cc1
InChIInChI=1S/C66H48N4Si.C56H42N4/c1-71(2,55-23-10-5-11-24-55)56-33-29-47(30-34-56)48-21-16-22-51(39-48)61-37-38-67-66(68-61)70-63-28-15-13-26-58(63)60-44-50(32-36-65(60)70)49-31-35-64-59(43-49)57-25-12-14-27-62(57)69(64)54-41-52(45-17-6-3-7-18-45)40-53(42-54)46-19-8-4-9-20-46;1-56(2,3)44-28-24-38(25-29-44)37-20-22-39(23-21-37)40-12-11-13-43(34-40)50-32-33-57-55(58-50)60-52-19-10-8-17-47(52)49-36-42(27-31-54(49)60)41-26-30-53-48(35-41)46-16-7-9-18-51(46)59(53)45-14-5-4-6-15-45/h3-44H,1-2H3;4-36H,1-3H3
InChIKeyBWXRTJBMONSMSR-UHFFFAOYSA-N
XLogP30.46
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001696.20
LogP ≤ 530.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane 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

3,9-diphenyl-6-[9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazole
CID 158736028
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
CID 90086381
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 158762981
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-[4-(2-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 159021278
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-(9-ethylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086417
3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 159917326
3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 160557560

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane?
The IUPAC name of 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane (CID 157487848) is 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane.
What is the SMILES notation for 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane?
The canonical SMILES for 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane is CC(C)(C)c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.C[Si](C)(c1ccccc1)c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc54)n3)c2)cc1.
What is the InChIKey of 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane?
The InChIKey is BWXRTJBMONSMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N4Si.C56H42N4/c1-71(2,55-23-10-5-11-24-55)56-33-29-47(30-34-56)48-21-16-22-51(39-48)61-37-38-67-66(68-61)70-63-28-15-13-26-58(63)60-44-50(32-36-65(60)70)49-31-35-64-59(43-49)57-25-12-14-27-62(57)69(64)54-41-52(45-17-6-3-7-18-45)40-53(42-54)46-19-8-4-9-20-46;1-56(2,3)44-28-24-38(25-29-44)37-20-22-39(23-21-37)40-12-11-13-43(34-40)50-32-33-57-55(58-50)60-52-19-10-8-17-47(52)49-36-42(27-31-54(49)60)41-26-30-53-48(35-41)46-16-7-9-18-51(46)59(53)45-14-5-4-6-15-45/h3-44H,1-2H3;4-36H,1-3H3.
What are the key properties of 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane?
3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane has a molecular weight of 1696.20 g/mol, XLogP of 30.46, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane is sourced from PubChem (CID 157487848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).