9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole

C56H44N4 — CID 171574350

IUPAC9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cc(C34CC5CC(CC(C5)C3)C4)cc(-c3ccccc3)c2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C56H44N4/c1-3-15-39(16-4-1)46-30-41(56-33-36-27-37(34-56)29-38(28-36)35-56)31-47(40-17-5-2-6-18-40)54(46)48-32-53(59-49-23-11-7-19-42(49)43-20-8-12-24-50(43)59)58-55(57-48)60-51-25-13-9-21-44(51)45-22-10-14-26-52(45)60/h1-26,30-32,36-38H,27-29,33-35H2
InChIKeyNMRXZWMCWDMHDC-UHFFFAOYSA-N
MW773.00 g/mol
LogP14.14
Rot. Bonds6

About 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole

9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole (PubChem CID 171574350) has the molecular formula C56H44N4 and a molecular weight of 773.00 g/mol. Its IUPAC name is 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole
PubChem CID171574350
Molecular FormulaC56H44N4
Molecular Weight773.00 g/mol
Exact Mass772.36
IUPAC Name9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cc(C34CC5CC(CC(C5)C3)C4)cc(-c3ccccc3)c2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C56H44N4/c1-3-15-39(16-4-1)46-30-41(56-33-36-27-37(34-56)29-38(28-36)35-56)31-47(40-17-5-2-6-18-40)54(46)48-32-53(59-49-23-11-7-19-42(49)43-20-8-12-24-50(43)59)58-55(57-48)60-51-25-13-9-21-44(51)45-22-10-14-26-52(45)60/h1-26,30-32,36-38H,27-29,33-35H2
InChIKeyNMRXZWMCWDMHDC-UHFFFAOYSA-N
XLogP14.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole 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

9-[4-[4-(1-adamantyl)-3-(2-carbazol-9-ylphenyl)phenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole
CID 171574354
9-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171574370
[4-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane
CID 171574383
[3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane
CID 171574330
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171574335
3-[9-[4-(2,6-diphenylphenyl)-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236901
9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
CID 169021296
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
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-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 134236891
12-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(2,3-diphenylphenyl)indolo[2,3-a]carbazole
CID 170291231
2-[4-[4-(1-adamantyl)phenyl]-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054901

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole?
The IUPAC name of 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole (CID 171574350) is 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole?
The canonical SMILES for 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole is c1ccc(-c2cc(C34CC5CC(CC(C5)C3)C4)cc(-c3ccccc3)c2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole?
The InChIKey is NMRXZWMCWDMHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4/c1-3-15-39(16-4-1)46-30-41(56-33-36-27-37(34-56)29-38(28-36)35-56)31-47(40-17-5-2-6-18-40)54(46)48-32-53(59-49-23-11-7-19-42(49)43-20-8-12-24-50(43)59)58-55(57-48)60-51-25-13-9-21-44(51)45-22-10-14-26-52(45)60/h1-26,30-32,36-38H,27-29,33-35H2.
What are the key properties of 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole?
9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole has a molecular weight of 773.00 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole is sourced from PubChem (CID 171574350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).