2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine

C176H127N15 — CID 161463757

About 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine

2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine (PubChem CID 161463757) has the molecular formula C176H127N15 and a molecular weight of 2452.06 g/mol. Its IUPAC name is 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine
• PubChem CID: 161463757
• Molecular Formula: C176H127N15
• Molecular Weight: 2452.06 g/mol
• Exact Mass: 2450.04
• IUPAC Name: 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine
• SMILES: Cc1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)cc(C)n1.Cc1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)nc(C)n1.Cc1cc(C)nc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)n1.Cc1ccnc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)n1
• InChI: InChI=1S/C45H33N3.2C44H32N4.C43H30N4/c1-30-23-37(24-31(2)46-30)35-19-11-20-36(25-35)38-26-39(42-22-12-18-32-13-9-10-21-41(32)42)28-40(27-38)45-47-43(33-14-5-3-6-15-33)29-44(48-45)34-16-7-4-8-17-34;1-29-23-41(46-30(2)45-29)35-20-11-19-34(24-35)36-25-37(40-22-12-18-31-13-9-10-21-39(31)40)27-38(26-36)44-47-42(32-14-5-3-6-15-32)28-43(48-44)33-16-7-4-8-17-33;1-29-23-30(2)46-43(45-29)35-20-11-19-34(24-35)36-25-37(40-22-12-18-31-13-9-10-21-39(31)40)27-38(26-36)44-47-41(32-14-5-3-6-15-32)28-42(48-44)33-16-7-4-8-17-33;1-29-22-23-44-42(45-29)34-19-10-18-33(24-34)35-25-36(39-21-11-17-30-12-8-9-20-38(30)39)27-37(26-35)43-46-40(31-13-4-2-5-14-31)28-41(47-43)32-15-6-3-7-16-32/h3-29H,1-2H3;2*3-28H,1-2H3;2-28H,1H3
• InChIKey: WCDSEMACYKSCRJ-UHFFFAOYSA-N
• XLogP: 44.45
• TPSA: 193.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2452.06
LogP ≤ 5	44.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine?

The IUPAC name of 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine (CID 161463757) is 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine.

What is the SMILES notation for 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine?

The canonical SMILES for 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine is Cc1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)cc(C)n1.Cc1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)nc(C)n1.Cc1cc(C)nc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)n1.Cc1ccnc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5ccccc45)c3)c2)n1.

What is the InChIKey of 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine?

The InChIKey is WCDSEMACYKSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3.2C44H32N4.C43H30N4/c1-30-23-37(24-31(2)46-30)35-19-11-20-36(25-35)38-26-39(42-22-12-18-32-13-9-10-21-41(32)42)28-40(27-38)45-47-43(33-14-5-3-6-15-33)29-44(48-45)34-16-7-4-8-17-34;1-29-23-41(46-30(2)45-29)35-20-11-19-34(24-35)36-25-37(40-22-12-18-31-13-9-10-21-39(31)40)27-38(26-36)44-47-42(32-14-5-3-6-15-32)28-43(48-44)33-16-7-4-8-17-33;1-29-23-30(2)46-43(45-29)35-20-11-19-34(24-35)36-25-37(40-22-12-18-31-13-9-10-21-39(31)40)27-38(26-36)44-47-41(32-14-5-3-6-15-32)28-42(48-44)33-16-7-4-8-17-33;1-29-22-23-44-42(45-29)34-19-10-18-33(24-34)35-25-36(39-21-11-17-30-12-8-9-20-38(30)39)27-37(26-35)43-46-40(31-13-4-2-5-14-31)28-41(47-43)32-15-6-3-7-16-32/h3-29H,1-2H3;2*3-28H,1-2H3;2-28H,1H3.

What are the key properties of 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine?

2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine has a molecular weight of 2452.06 g/mol, XLogP of 44.45, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 161463757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).