2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine

C59H36N2 — CID 142356680

IUPAC2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C59H36N2/c1-2-16-37(17-3-1)58-60-55(40-19-14-18-38(34-40)39-32-33-45-43-22-5-4-20-41(43)42-21-6-7-23-44(42)50(45)35-39)36-56(61-58)49-27-15-31-54-57(49)48-26-10-13-30-53(48)59(54)51-28-11-8-24-46(51)47-25-9-12-29-52(47)59/h1-36H
InChIKeyZPNVUJFMKCBPBC-UHFFFAOYSA-N
MW772.95 g/mol
LogP14.95
Rot. Bonds4

About 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine

2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine (PubChem CID 142356680) has the molecular formula C59H36N2 and a molecular weight of 772.95 g/mol. Its IUPAC name is 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine
PubChem CID142356680
Molecular FormulaC59H36N2
Molecular Weight772.95 g/mol
Exact Mass772.29
IUPAC Name2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C59H36N2/c1-2-16-37(17-3-1)58-60-55(40-19-14-18-38(34-40)39-32-33-45-43-22-5-4-20-41(43)42-21-6-7-23-44(42)50(45)35-39)36-56(61-58)49-27-15-31-54-57(49)48-26-10-13-30-53(48)59(54)51-28-11-8-24-46(51)47-25-9-12-29-52(47)59/h1-36H
InChIKeyZPNVUJFMKCBPBC-UHFFFAOYSA-N
XLogP14.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine 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-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168777472
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171585547
2-phenyl-4-(4-phenylphenyl)-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 138599979
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 159047884
4-phenanthren-2-yl-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 130355554
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-triphenylen-2-ylpyrimidine
CID 146495333
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 153287651
2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]pyrimidine
CID 138600066
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine (CID 142356680) is 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine?
The InChIKey is ZPNVUJFMKCBPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2/c1-2-16-37(17-3-1)58-60-55(40-19-14-18-38(34-40)39-32-33-45-43-22-5-4-20-41(43)42-21-6-7-23-44(42)50(45)35-39)36-56(61-58)49-27-15-31-54-57(49)48-26-10-13-30-53(48)59(54)51-28-11-8-24-46(51)47-25-9-12-29-52(47)59/h1-36H.
What are the key properties of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine?
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine has a molecular weight of 772.95 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 142356680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).