2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline

C33H21N3 — CID 134167550

IUPAC2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5ccncc5)nc4c3n2)c1
InChIInChI=1S/C33H21N3/c1-2-5-26-20-28(11-8-22(26)4-1)27-6-3-7-29(21-27)31-15-13-25-10-9-24-12-14-30(23-16-18-34-19-17-23)35-32(24)33(25)36-31/h1-21H
InChIKeyCXYFLVUGLXCPOY-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.33
Rot. Bonds3

About 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline

2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline (PubChem CID 134167550) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
PubChem CID134167550
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5ccncc5)nc4c3n2)c1
InChIInChI=1S/C33H21N3/c1-2-5-26-20-28(11-8-22(26)4-1)27-6-3-7-29(21-27)31-15-13-25-10-9-24-12-14-30(23-16-18-34-19-17-23)35-32(24)33(25)36-31/h1-21H
InChIKeyCXYFLVUGLXCPOY-UHFFFAOYSA-N
XLogP8.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
2-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134167649
2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline
CID 134167733
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-[3-[6-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-[6-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 159863187
32,56,61-triazapentadecacyclo[53.2.2.27,57.28,11.212,15.221,24.225,28.239,42.243,46.247,50.251,54.116,20.129,33.134,38.04,60]octaconta-1(57),2,4(60),5,7(61),8(80),9,11(79),12(78),13,15(77),16,18,20(76),21(75),22,24(74),25(73),26,28(72),29(71),30,32,34,36,38(70),39,41,43,45,47,49,51,53,55,58,62,64,66,68-tetracontaene
CID 140920223
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline?
The IUPAC name of 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline (CID 134167550) is 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline?
The canonical SMILES for 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5ccncc5)nc4c3n2)c1.
What is the InChIKey of 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline?
The InChIKey is CXYFLVUGLXCPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-5-26-20-28(11-8-22(26)4-1)27-6-3-7-29(21-27)31-15-13-25-10-9-24-12-14-30(23-16-18-34-19-17-23)35-32(24)33(25)36-31/h1-21H.
What are the key properties of 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline?
2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline has a molecular weight of 459.55 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline is sourced from PubChem (CID 134167550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).