2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline

C180H110N14 — CID 165037983

About 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline

2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline (PubChem CID 165037983) has the molecular formula C180H110N14 and a molecular weight of 2468.96 g/mol. Its IUPAC name is 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
• PubChem CID: 165037983
• Molecular Formula: C180H110N14
• Molecular Weight: 2468.96 g/mol
• Exact Mass: 2466.90
• IUPAC Name: 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccc9ccc%10ccccc%10c9n8)nc7c6)cc5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc2c(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc9ccccc9c8n7)nc6c5)cc4n3)cccc2c1.c1ccc2c(c1)cc(-c1ccc3ccc(-c4ccc5ccc(-c6ccc7ccc8ccccc8c7n6)nc5c4)cc3n1)c1ccccc12.c1ccc2cc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc9ccccc9c8n7)nc6c5)cc4n3)ccc2c1
• InChI: InChI=1S/C53H33N5.C45H27N3.2C41H25N3/c1-3-10-35(11-4-1)50-33-51(58-53(57-50)41-12-5-2-6-13-41)37-18-16-36(17-19-37)45-28-25-38-20-23-42(31-48(38)54-45)43-24-21-39-26-29-46(55-49(39)32-43)47-30-27-40-22-15-34-9-7-8-14-44(34)52(40)56-47;1-4-10-36-28(7-1)13-16-31-21-24-42(48-45(31)36)41-23-20-30-15-18-33(27-44(30)47-41)32-17-14-29-19-22-40(46-43(29)26-32)39-25-34-8-2-3-9-35(34)37-11-5-6-12-38(37)39;1-3-9-33-26(6-1)8-5-11-35(33)36-21-18-28-13-16-31(24-39(28)42-36)32-17-14-29-19-22-37(43-40(29)25-32)38-23-20-30-15-12-27-7-2-4-10-34(27)41(30)44-38;1-2-7-31-23-34(16-9-26(31)5-1)36-20-17-28-11-14-32(24-39(28)42-36)33-15-12-29-18-21-37(43-40(29)25-33)38-22-19-30-13-10-27-6-3-4-8-35(27)41(30)44-38/h1-33H;1-27H;2*1-25H
• InChIKey: NRJJTWJSSKLBRM-UHFFFAOYSA-N
• XLogP: 46.35
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2468.96
LogP ≤ 5	46.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

The IUPAC name of 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline (CID 165037983) is 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline.

What is the SMILES notation for 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

The canonical SMILES for 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccc9ccc%10ccccc%10c9n8)nc7c6)cc5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc2c(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc9ccccc9c8n7)nc6c5)cc4n3)cccc2c1.c1ccc2c(c1)cc(-c1ccc3ccc(-c4ccc5ccc(-c6ccc7ccc8ccccc8c7n6)nc5c4)cc3n1)c1ccccc12.c1ccc2cc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc9ccccc9c8n7)nc6c5)cc4n3)ccc2c1.

What is the InChIKey of 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

The InChIKey is NRJJTWJSSKLBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5.C45H27N3.2C41H25N3/c1-3-10-35(11-4-1)50-33-51(58-53(57-50)41-12-5-2-6-13-41)37-18-16-36(17-19-37)45-28-25-38-20-23-42(31-48(38)54-45)43-24-21-39-26-29-46(55-49(39)32-43)47-30-27-40-22-15-34-9-7-8-14-44(34)52(40)56-47;1-4-10-36-28(7-1)13-16-31-21-24-42(48-45(31)36)41-23-20-30-15-18-33(27-44(30)47-41)32-17-14-29-19-22-40(46-43(29)26-32)39-25-34-8-2-3-9-35(34)37-11-5-6-12-38(37)39;1-3-9-33-26(6-1)8-5-11-35(33)36-21-18-28-13-16-31(24-39(28)42-36)32-17-14-29-19-22-37(43-40(29)25-32)38-23-20-30-15-12-27-7-2-4-10-34(27)41(30)44-38;1-2-7-31-23-34(16-9-26(31)5-1)36-20-17-28-11-14-32(24-39(28)42-36)33-15-12-29-18-21-37(43-40(29)25-33)38-22-19-30-13-10-27-6-3-4-8-35(27)41(30)44-38/h1-33H;1-27H;2*1-25H.

What are the key properties of 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline has a molecular weight of 2468.96 g/mol, XLogP of 46.35, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline is sourced from PubChem (CID 165037983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).