4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

C204H128N12 — CID 160782848

About 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 160782848) has the molecular formula C204H128N12 and a molecular weight of 2747.35 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
• PubChem CID: 160782848
• Molecular Formula: C204H128N12
• Molecular Weight: 2747.35 g/mol
• Exact Mass: 2745.04
• IUPAC Name: 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)nc(-c4cccc(-c5cccnc5)c4)n3)cc2)cc1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)n3)cc2)c1.c1cncc(-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)n3)c2)c1
• InChI: InChI=1S/2C53H33N3.2C49H31N3/c1-2-12-37-29-39(27-24-34(37)11-1)35-22-25-36(26-23-35)50-32-51(56-53(55-50)40-14-9-13-38(30-40)41-15-10-28-54-33-41)48-31-49-44-18-4-3-16-42(44)43-17-5-7-20-46(43)52(49)47-21-8-6-19-45(47)48;1-2-11-39-30-40(28-23-34(39)10-1)35-19-24-37(25-20-35)50-32-51(56-53(55-50)38-26-21-36(22-27-38)41-12-9-29-54-33-41)48-31-49-44-15-4-3-13-42(44)43-14-5-7-17-46(43)52(49)47-18-8-6-16-45(47)48;1-2-12-32(13-3-1)33-23-25-34(26-24-33)46-30-47(52-49(51-46)36-15-10-14-35(28-36)37-16-11-27-50-31-37)44-29-45-40-19-5-4-17-38(40)39-18-6-8-21-42(39)48(45)43-22-9-7-20-41(43)44;1-2-11-32(12-3-1)33-20-24-35(25-21-33)46-30-47(52-49(51-46)36-26-22-34(23-27-36)37-13-10-28-50-31-37)44-29-45-40-16-5-4-14-38(40)39-15-6-8-18-42(39)48(45)43-19-9-7-17-41(43)44/h2*1-33H;2*1-31H
• InChIKey: SAUQDVMNRLJSQC-UHFFFAOYSA-N
• XLogP: 53.58
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.35
LogP ≤ 5	53.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

The IUPAC name of 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 160782848) is 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.

What is the SMILES notation for 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

The canonical SMILES for 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)nc(-c4cccc(-c5cccnc5)c4)n3)cc2)cc1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)n3)cc2)c1.c1cncc(-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)n3)c2)c1.

What is the InChIKey of 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

The InChIKey is SAUQDVMNRLJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H33N3.2C49H31N3/c1-2-12-37-29-39(27-24-34(37)11-1)35-22-25-36(26-23-35)50-32-51(56-53(55-50)40-14-9-13-38(30-40)41-15-10-28-54-33-41)48-31-49-44-18-4-3-16-42(44)43-17-5-7-20-46(43)52(49)47-21-8-6-19-45(47)48;1-2-11-39-30-40(28-23-34(39)10-1)35-19-24-37(25-20-35)50-32-51(56-53(55-50)38-26-21-36(22-27-38)41-12-9-29-54-33-41)48-31-49-44-15-4-3-13-42(44)43-14-5-7-17-46(43)52(49)47-18-8-6-16-45(47)48;1-2-12-32(13-3-1)33-23-25-34(26-24-33)46-30-47(52-49(51-46)36-15-10-14-35(28-36)37-16-11-27-50-31-37)44-29-45-40-19-5-4-17-38(40)39-18-6-8-21-42(39)48(45)43-22-9-7-20-41(43)44;1-2-11-32(12-3-1)33-20-24-35(25-21-33)46-30-47(52-49(51-46)36-26-22-34(23-27-36)37-13-10-28-50-31-37)44-29-45-40-16-5-4-14-38(40)39-15-6-8-18-42(39)48(45)43-19-9-7-17-41(43)44/h2*1-33H;2*1-31H.

What are the key properties of 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 2747.35 g/mol, XLogP of 53.58, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 160782848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).