2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline

C257H174N24 — CID 160699118

About 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline

2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 160699118) has the molecular formula C257H174N24 and a molecular weight of 3598.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
• PubChem CID: 160699118
• Molecular Formula: C257H174N24
• Molecular Weight: 3598.39 g/mol
• Exact Mass: 3595.44
• IUPAC Name: 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
• SMILES: Cc1cc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)c1.Cc1cc(C)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cc(C)cc(C)c9)nc8c7n6)c5)nc4c3n2)c1.Cc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccc(C)cc9)nc8c7n6)c5)nc4c3n2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.Cc1ccccc1-c1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8C)nc7c6n5)c4)nc3c2n1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8c(-c9ccccc9)cc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1
• InChI: InChI=1S/C48H30N4.C46H34N4.2C44H30N4.C43H28N4.C32H22N4/c1-4-11-31(12-5-1)40-30-44(33-15-8-3-9-16-33)52-48-39(40)25-21-36-24-28-43(51-47(36)48)38-18-10-17-37(29-38)42-27-23-35-20-19-34-22-26-41(32-13-6-2-7-14-32)49-45(34)46(35)50-42;1-27-20-28(2)23-37(22-27)41-18-14-33-10-8-31-12-16-39(47-43(31)45(33)49-41)35-6-5-7-36(26-35)40-17-13-32-9-11-34-15-19-42(50-46(34)44(32)48-40)38-24-29(3)21-30(4)25-38;1-27-8-3-5-12-35(27)39-24-20-31-16-14-29-18-22-37(45-41(29)43(31)47-39)33-10-7-11-34(26-33)38-23-19-30-15-17-32-21-25-40(48-44(32)42(30)46-38)36-13-6-4-9-28(36)2;1-27-6-10-29(11-7-27)37-22-18-31-14-16-33-20-24-39(47-43(33)41(31)45-37)35-4-3-5-36(26-35)40-25-21-34-17-15-32-19-23-38(46-42(32)44(34)48-40)30-12-8-28(2)9-13-30;1-27-24-34(38-22-18-32-14-12-30-16-20-36(28-8-4-2-5-9-28)44-40(30)42(32)46-38)26-35(25-27)39-23-19-33-15-13-31-17-21-37(29-10-6-3-7-11-29)45-41(31)43(33)47-39;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28/h1-30H;5-26H,1-4H3;2*3-26H,1-2H3;2-26H,1H3;3-18H,1-2H3
• InChIKey: RQJNFSYJPSVYBF-UHFFFAOYSA-N
• XLogP: 65.01
• TPSA: 309.36 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3598.39
LogP ≤ 5	65.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?

The IUPAC name of 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline (CID 160699118) is 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline.

What is the SMILES notation for 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?

The canonical SMILES for 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline is Cc1cc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)c1.Cc1cc(C)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cc(C)cc(C)c9)nc8c7n6)c5)nc4c3n2)c1.Cc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccc(C)cc9)nc8c7n6)c5)nc4c3n2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.Cc1ccccc1-c1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8C)nc7c6n5)c4)nc3c2n1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8c(-c9ccccc9)cc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.

What is the InChIKey of 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?

The InChIKey is RQJNFSYJPSVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.C46H34N4.2C44H30N4.C43H28N4.C32H22N4/c1-4-11-31(12-5-1)40-30-44(33-15-8-3-9-16-33)52-48-39(40)25-21-36-24-28-43(51-47(36)48)38-18-10-17-37(29-38)42-27-23-35-20-19-34-22-26-41(32-13-6-2-7-14-32)49-45(34)46(35)50-42;1-27-20-28(2)23-37(22-27)41-18-14-33-10-8-31-12-16-39(47-43(31)45(33)49-41)35-6-5-7-36(26-35)40-17-13-32-9-11-34-15-19-42(50-46(34)44(32)48-40)38-24-29(3)21-30(4)25-38;1-27-8-3-5-12-35(27)39-24-20-31-16-14-29-18-22-37(45-41(29)43(31)47-39)33-10-7-11-34(26-33)38-23-19-30-15-17-32-21-25-40(48-44(32)42(30)46-38)36-13-6-4-9-28(36)2;1-27-6-10-29(11-7-27)37-22-18-31-14-16-33-20-24-39(47-43(33)41(31)45-37)35-4-3-5-36(26-35)40-25-21-34-17-15-32-19-23-38(46-42(32)44(34)48-40)30-12-8-28(2)9-13-30;1-27-24-34(38-22-18-32-14-12-30-16-20-36(28-8-4-2-5-9-28)44-40(30)42(32)46-38)26-35(25-27)39-23-19-33-15-13-31-17-21-37(29-10-6-3-7-11-29)45-41(31)43(33)47-39;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28/h1-30H;5-26H,1-4H3;2*3-26H,1-2H3;2-26H,1H3;3-18H,1-2H3.

What are the key properties of 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?

2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 3598.39 g/mol, XLogP of 65.01, 23 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 160699118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).