4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline

C43H27N5 — CID 129201375

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4ccc4cccnc45)c3)n2)cc1
InChIInChI=1S/C43H27N5/c1-3-11-30(12-4-1)41-46-42(31-13-5-2-6-14-31)48-43(47-41)36-26-34(33-18-17-28-10-7-8-15-32(28)24-33)25-35(27-36)37-21-23-45-40-38(37)20-19-29-16-9-22-44-39(29)40/h1-27H
InChIKeyYPLAAKBKUSSBIR-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.46
Rot. Bonds5

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

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline (PubChem CID 129201375) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline
PubChem CID129201375
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4ccc4cccnc45)c3)n2)cc1
InChIInChI=1S/C43H27N5/c1-3-11-30(12-4-1)41-46-42(31-13-5-2-6-14-31)48-43(47-41)36-26-34(33-18-17-28-10-7-8-15-32(28)24-33)25-35(27-36)37-21-23-45-40-38(37)20-19-29-16-9-22-44-39(29)40/h1-27H
InChIKeyYPLAAKBKUSSBIR-UHFFFAOYSA-N
XLogP10.46
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline
CID 137484439
5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline
CID 158941030
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 160869026
9,9-dimethyl-7-[3-(1,10-phenanthrolin-4-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile
CID 171422020
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
4-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 163509386
3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
CID 161046962
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline (CID 129201375) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4ccc4cccnc45)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline?
The InChIKey is YPLAAKBKUSSBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-3-11-30(12-4-1)41-46-42(31-13-5-2-6-14-31)48-43(47-41)36-26-34(33-18-17-28-10-7-8-15-32(28)24-33)25-35(27-36)37-21-23-45-40-38(37)20-19-29-16-9-22-44-39(29)40/h1-27H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline has a molecular weight of 613.72 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline is sourced from PubChem (CID 129201375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).