3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline

C180H118N18 — CID 167595480

IUPAC3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccc(-c7cccnc7)cc6)c6ccccc56)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)cc5)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/2C48H32N4.C45H29N5.C39H25N5/c1-3-12-36(13-4-1)40-17-7-10-20-44(40)47-50-46(38-14-5-2-6-15-38)51-48(52-47)45-30-29-41(42-18-8-9-19-43(42)45)37-27-25-34(26-28-37)33-21-23-35(24-22-33)39-16-11-31-49-32-39;1-3-10-33(11-4-1)34-19-25-39(26-20-34)47-50-46(38-12-5-2-6-13-38)51-48(52-47)40-27-23-37(24-28-40)43-30-29-42(44-15-7-8-16-45(43)44)36-21-17-35(18-22-36)41-14-9-31-49-32-41;1-3-9-30(10-4-1)37-13-7-14-39(27-37)45-49-43(35-11-5-2-6-12-35)48-44(50-45)36-23-20-32(21-24-36)31-16-18-33(19-17-31)40-28-38-25-22-34-15-8-26-46-41(34)42(38)47-29-40;1-3-8-30(9-4-1)37-42-38(31-10-5-2-6-11-31)44-39(43-37)32-20-17-27(18-21-32)26-13-15-28(16-14-26)34-24-33-22-19-29-12-7-23-40-35(29)36(33)41-25-34/h2*1-32H;1-29H;1-25H
InChIKeyIZUXYKJJJHHZNJ-UHFFFAOYSA-N
MW2533.05 g/mol
LogP44.45
Rot. Bonds25

About 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline

3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline (PubChem CID 167595480) has the molecular formula C180H118N18 and a molecular weight of 2533.05 g/mol. Its IUPAC name is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
PubChem CID167595480
Molecular FormulaC180H118N18
Molecular Weight2533.05 g/mol
Exact Mass2530.98
IUPAC Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccc(-c7cccnc7)cc6)c6ccccc56)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)cc5)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/2C48H32N4.C45H29N5.C39H25N5/c1-3-12-36(13-4-1)40-17-7-10-20-44(40)47-50-46(38-14-5-2-6-15-38)51-48(52-47)45-30-29-41(42-18-8-9-19-43(42)45)37-27-25-34(26-28-37)33-21-23-35(24-22-33)39-16-11-31-49-32-39;1-3-10-33(11-4-1)34-19-25-39(26-20-34)47-50-46(38-12-5-2-6-13-38)51-48(52-47)40-27-23-37(24-28-40)43-30-29-42(44-15-7-8-16-45(43)44)36-21-17-35(18-22-36)41-14-9-31-49-32-41;1-3-9-30(10-4-1)37-13-7-14-39(27-37)45-49-43(35-11-5-2-6-12-35)48-44(50-45)36-23-20-32(21-24-36)31-16-18-33(19-17-31)40-28-38-25-22-34-15-8-26-46-41(34)42(38)47-29-40;1-3-8-30(9-4-1)37-42-38(31-10-5-2-6-11-31)44-39(43-37)32-20-17-27(18-21-32)26-13-15-28(16-14-26)34-24-33-22-19-29-12-7-23-40-35(29)36(33)41-25-34/h2*1-32H;1-29H;1-25H
InChIKeyIZUXYKJJJHHZNJ-UHFFFAOYSA-N
XLogP44.45
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002533.05
LogP ≤ 544.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline (CID 167595480) is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccc(-c7cccnc7)cc6)c6ccccc56)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)cc5)cc4)c4ccccc34)n2)cc1.
What is the InChIKey of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is IZUXYKJJJHHZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H32N4.C45H29N5.C39H25N5/c1-3-12-36(13-4-1)40-17-7-10-20-44(40)47-50-46(38-14-5-2-6-15-38)51-48(52-47)45-30-29-41(42-18-8-9-19-43(42)45)37-27-25-34(26-28-37)33-21-23-35(24-22-33)39-16-11-31-49-32-39;1-3-10-33(11-4-1)34-19-25-39(26-20-34)47-50-46(38-12-5-2-6-13-38)51-48(52-47)40-27-23-37(24-28-40)43-30-29-42(44-15-7-8-16-45(43)44)36-21-17-35(18-22-36)41-14-9-31-49-32-41;1-3-9-30(10-4-1)37-13-7-14-39(27-37)45-49-43(35-11-5-2-6-12-35)48-44(50-45)36-23-20-32(21-24-36)31-16-18-33(19-17-31)40-28-38-25-22-34-15-8-26-46-41(34)42(38)47-29-40;1-3-8-30(9-4-1)37-42-38(31-10-5-2-6-11-31)44-39(43-37)32-20-17-27(18-21-32)26-13-15-28(16-14-26)34-24-33-22-19-29-12-7-23-40-35(29)36(33)41-25-34/h2*1-32H;1-29H;1-25H.
What are the key properties of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline?
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 2533.05 g/mol, XLogP of 44.45, 25 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 167595480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).