9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline

C28H18N2 — CID 59412911

IUPAC9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
SMILESc1ccc2cc(-c3ccc(-c4cnc5ccc6cccnc6c5c4)cc3)ccc2c1
InChIInChI=1S/C28H18N2/c1-2-5-23-16-24(12-11-19(23)4-1)20-7-9-21(10-8-20)25-17-26-27(30-18-25)14-13-22-6-3-15-29-28(22)26/h1-18H
InChIKeyILRCGTQSTSQMHL-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline

9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline (PubChem CID 59412911) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline.

Molecular Properties

Compound Name9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
PubChem CID59412911
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
SMILESc1ccc2cc(-c3ccc(-c4cnc5ccc6cccnc6c5c4)cc3)ccc2c1
InChIInChI=1S/C28H18N2/c1-2-5-23-16-24(12-11-19(23)4-1)20-7-9-21(10-8-20)25-17-26-27(30-18-25)14-13-22-6-3-15-29-28(22)26/h1-18H
InChIKeyILRCGTQSTSQMHL-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.27
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

3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
9-phenyl-1,7-phenanthroline;rubidium(1+)
CID 59412913
9-bromo-1,7-phenanthroline
CID 59412924
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
1,7-phenanthrolin-9-ylboronic acid
CID 175292482
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225
14-(4-naphthalen-2-ylphenyl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene
CID 71229598
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
CID 170404750

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline?
The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline (CID 59412911) is 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline.
What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline?
The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline is c1ccc2cc(-c3ccc(-c4cnc5ccc6cccnc6c5c4)cc3)ccc2c1.
What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline?
The InChIKey is ILRCGTQSTSQMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-2-5-23-16-24(12-11-19(23)4-1)20-7-9-21(10-8-20)25-17-26-27(30-18-25)14-13-22-6-3-15-29-28(22)26/h1-18H.
What are the key properties of 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline?
9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline has a molecular weight of 382.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline is sourced from PubChem (CID 59412911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).