2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline

C35H24N2 — CID 58813339

IUPAC2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
SMILESCc1ccc2cc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)ccnc5c4n3)ccc2c1
InChIInChI=1S/C35H24N2/c1-23-12-13-27-21-28(15-14-26(27)20-23)33-22-32(25-10-6-3-7-11-25)31-17-16-30-29(24-8-4-2-5-9-24)18-19-36-34(30)35(31)37-33/h2-22H,1H3
InChIKeyXSFBIXDASPUXLR-UHFFFAOYSA-N
MW472.59 g/mol
LogP9.25
Rot. Bonds3

About 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline

2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline (PubChem CID 58813339) has the molecular formula C35H24N2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
PubChem CID58813339
Molecular FormulaC35H24N2
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
SMILESCc1ccc2cc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)ccnc5c4n3)ccc2c1
InChIInChI=1S/C35H24N2/c1-23-12-13-27-21-28(15-14-26(27)20-23)33-22-32(25-10-6-3-7-11-25)31-17-16-30-29(24-8-4-2-5-9-24)18-19-36-34(30)35(31)37-33/h2-22H,1H3
InChIKeyXSFBIXDASPUXLR-UHFFFAOYSA-N
XLogP9.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 59.25
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

4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
CID 145180186
4,7-bis(4-isoquinolin-3-ylphenyl)-2-phenyl-1,10-phenanthroline
CID 144839385
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
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
CID 70909452
4-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,7-diphenyl-1,10-phenanthroline
CID 155336393
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
2,9-bis(2,5-dimethylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909605
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline
CID 159772726
4,7-diphenyl-2-propyl-1,10-phenanthroline
CID 123268572
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline (CID 58813339) is 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline is Cc1ccc2cc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)ccnc5c4n3)ccc2c1.
What is the InChIKey of 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is XSFBIXDASPUXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2/c1-23-12-13-27-21-28(15-14-26(27)20-23)33-22-32(25-10-6-3-7-11-25)31-17-16-30-29(24-8-4-2-5-9-24)18-19-36-34(30)35(31)37-33/h2-22H,1H3.
What are the key properties of 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline?
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 472.59 g/mol, XLogP of 9.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 58813339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).