ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane

C72H64N4 — CID 145073394

About ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane

ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane (PubChem CID 145073394) has the molecular formula C72H64N4 and a molecular weight of 985.33 g/mol. Its IUPAC name is ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane.

Molecular Properties

• Compound Name: ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane
• PubChem CID: 145073394
• Molecular Formula: C72H64N4
• Molecular Weight: 985.33 g/mol
• Exact Mass: 984.51
• IUPAC Name: ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane
• SMILES: CC.CC.CCC.c1ccc(-c2nc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C65H44N4.C3H8.2C2H6/c1-5-19-49(20-6-1)63-66-59(43-61(68-63)53-31-29-45-17-13-15-23-51(45)41-53)47-33-37-57(38-34-47)65(55-25-9-3-10-26-55,56-27-11-4-12-28-56)58-39-35-48(36-40-58)60-44-62(69-64(67-60)50-21-7-2-8-22-50)54-32-30-46-18-14-16-24-52(46)42-54;1-3-2;2*1-2/h1-44H;3H2,1-2H3;2*1-2H3
• InChIKey: PRYFOLGZDOMKAS-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.33
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane?

The IUPAC name of ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane (CID 145073394) is ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane.

What is the SMILES notation for ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane?

The canonical SMILES for ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane is CC.CC.CCC.c1ccc(-c2nc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.

What is the InChIKey of ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane?

The InChIKey is PRYFOLGZDOMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N4.C3H8.2C2H6/c1-5-19-49(20-6-1)63-66-59(43-61(68-63)53-31-29-45-17-13-15-23-51(45)41-53)47-33-37-57(38-34-47)65(55-25-9-3-10-26-55,56-27-11-4-12-28-56)58-39-35-48(36-40-58)60-44-62(69-64(67-60)50-21-7-2-8-22-50)54-32-30-46-18-14-16-24-52(46)42-54;1-3-2;2*1-2/h1-44H;3H2,1-2H3;2*1-2H3.

What are the key properties of ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane?

ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane has a molecular weight of 985.33 g/mol, XLogP of 19.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane is sourced from PubChem (CID 145073394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).