9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

C64H40N4 — CID 139500408

IUPAC9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-c6ccccc6)n5)c4)c3c2)cc1
InChIInChI=1S/C64H40N4/c1-3-17-41(18-4-1)44-32-34-56-55-27-11-14-28-59(55)67(62(56)39-44)47-36-45(43-31-33-52-50-23-8-7-21-48(50)49-22-9-10-24-51(49)57(52)38-43)35-46(37-47)58-40-63(66-64(65-58)42-19-5-2-6-20-42)68-60-29-15-12-25-53(60)54-26-13-16-30-61(54)68/h1-40H
InChIKeyKXZWUYOYEMCQAT-UHFFFAOYSA-N
MW865.05 g/mol
LogP16.80
Rot. Bonds6

About 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (PubChem CID 139500408) has the molecular formula C64H40N4 and a molecular weight of 865.05 g/mol. Its IUPAC name is 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
PubChem CID139500408
Molecular FormulaC64H40N4
Molecular Weight865.05 g/mol
Exact Mass864.33
IUPAC Name9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-c6ccccc6)n5)c4)c3c2)cc1
InChIInChI=1S/C64H40N4/c1-3-17-41(18-4-1)44-32-34-56-55-27-11-14-28-59(55)67(62(56)39-44)47-36-45(43-31-33-52-50-23-8-7-21-48(50)49-22-9-10-24-51(49)57(52)38-43)35-46(37-47)58-40-63(66-64(65-58)42-19-5-2-6-20-42)68-60-29-15-12-25-53(60)54-26-13-16-30-61(54)68/h1-40H
InChIKeyKXZWUYOYEMCQAT-UHFFFAOYSA-N
XLogP16.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole 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

2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 139500401
9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
CID 139500953
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500404
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 71287038
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287146
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159291307
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The IUPAC name of 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (CID 139500408) is 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-c6ccccc6)n5)c4)c3c2)cc1.
What is the InChIKey of 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The InChIKey is KXZWUYOYEMCQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4/c1-3-17-41(18-4-1)44-32-34-56-55-27-11-14-28-59(55)67(62(56)39-44)47-36-45(43-31-33-52-50-23-8-7-21-48(50)49-22-9-10-24-51(49)57(52)38-43)35-46(37-47)58-40-63(66-64(65-58)42-19-5-2-6-20-42)68-60-29-15-12-25-53(60)54-26-13-16-30-61(54)68/h1-40H.
What are the key properties of 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole has a molecular weight of 865.05 g/mol, XLogP of 16.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is sourced from PubChem (CID 139500408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).