5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline

C40H34N2 — CID 171419209

IUPAC5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline
SMILESCC(C)c1ccc2cc(-c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3)c3ccc(C(C)C)nc3c2n1
InChIInChI=1S/C40H34N2/c1-25(2)37-21-17-30-24-36(35-20-22-38(26(3)4)42-40(35)39(30)41-37)29-14-10-13-28(23-29)32-19-18-31(27-11-6-5-7-12-27)33-15-8-9-16-34(32)33/h5-26H,1-4H3
InChIKeyXEWXZWTTXMONAE-UHFFFAOYSA-N
MW542.73 g/mol
LogP11.18
Rot. Bonds5

About 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline

5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline (PubChem CID 171419209) has the molecular formula C40H34N2 and a molecular weight of 542.73 g/mol. Its IUPAC name is 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline
PubChem CID171419209
Molecular FormulaC40H34N2
Molecular Weight542.73 g/mol
Exact Mass542.27
IUPAC Name5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline
SMILESCC(C)c1ccc2cc(-c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3)c3ccc(C(C)C)nc3c2n1
InChIInChI=1S/C40H34N2/c1-25(2)37-21-17-30-24-36(35-20-22-38(26(3)4)42-40(35)39(30)41-37)29-14-10-13-28(23-29)32-19-18-31(27-11-6-5-7-12-27)33-15-8-9-16-34(32)33/h5-26H,1-4H3
InChIKeyXEWXZWTTXMONAE-UHFFFAOYSA-N
XLogP11.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 511.18
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

2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 171419180
2-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-phenyl-9-propan-2-yl-1,10-phenanthroline
CID 157202845
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138643643
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134176196
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 59307376
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline
CID 90367002
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline?
The IUPAC name of 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline (CID 171419209) is 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline?
The canonical SMILES for 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline is CC(C)c1ccc2cc(-c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3)c3ccc(C(C)C)nc3c2n1.
What is the InChIKey of 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline?
The InChIKey is XEWXZWTTXMONAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2/c1-25(2)37-21-17-30-24-36(35-20-22-38(26(3)4)42-40(35)39(30)41-37)29-14-10-13-28(23-29)32-19-18-31(27-11-6-5-7-12-27)33-15-8-9-16-34(32)33/h5-26H,1-4H3.
What are the key properties of 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline?
5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline has a molecular weight of 542.73 g/mol, XLogP of 11.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 171419209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).