5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline

C36H26N2 — CID 175634950

IUPAC5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline
SMILESCc1c(C)c2ccc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)nc2c2ncccc12
InChIInChI=1S/C36H26N2/c1-23-24(2)31-19-20-34(38-36(31)35-30(23)14-7-21-37-35)27-17-15-25(16-18-27)28-10-5-11-29(22-28)33-13-6-9-26-8-3-4-12-32(26)33/h3-22H,1-2H3
InChIKeySLPBBFOSDQVZHL-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.55
Rot. Bonds3

About 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline

5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline (PubChem CID 175634950) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline
PubChem CID175634950
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline
SMILESCc1c(C)c2ccc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)nc2c2ncccc12
InChIInChI=1S/C36H26N2/c1-23-24(2)31-19-20-34(38-36(31)35-30(23)14-7-21-37-35)27-17-15-25(16-18-27)28-10-5-11-29(22-28)33-13-6-9-26-8-3-4-12-32(26)33/h3-22H,1-2H3
InChIKeySLPBBFOSDQVZHL-UHFFFAOYSA-N
XLogP9.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 175634953
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
2-[4-[7-[2-(3,5-diphenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164989934
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline
CID 164992438
3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 175635001
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 159054381
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
2-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyridine
CID 134320914

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline?
The IUPAC name of 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline (CID 175634950) is 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline is Cc1c(C)c2ccc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)nc2c2ncccc12.
What is the InChIKey of 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline?
The InChIKey is SLPBBFOSDQVZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-23-24(2)31-19-20-34(38-36(31)35-30(23)14-7-21-37-35)27-17-15-25(16-18-27)28-10-5-11-29(22-28)33-13-6-9-26-8-3-4-12-32(26)33/h3-22H,1-2H3.
What are the key properties of 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline?
5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline has a molecular weight of 486.62 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 175634950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).