3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline

C35H21N3 — CID 58637294

IUPAC3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline
SMILESc1ccc2c(c1)cc(-c1cc(-c3ccncc3)c3ccc4c5ccccc5cnc4c3n1)c1ccccc12
InChIInChI=1S/C35H21N3/c1-3-9-25-23(7-1)19-32(28-12-6-5-11-27(25)28)33-20-31(22-15-17-36-18-16-22)30-14-13-29-26-10-4-2-8-24(26)21-37-34(29)35(30)38-33/h1-21H
InChIKeyHPYQYPDRXQIRMG-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.97
Rot. Bonds2

About 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline

3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline (PubChem CID 58637294) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline.

Molecular Properties

Compound Name3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline
PubChem CID58637294
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline
SMILESc1ccc2c(c1)cc(-c1cc(-c3ccncc3)c3ccc4c5ccccc5cnc4c3n1)c1ccccc12
InChIInChI=1S/C35H21N3/c1-3-9-25-23(7-1)19-32(28-12-6-5-11-27(25)28)33-20-31(22-15-17-36-18-16-22)30-14-13-29-26-10-4-2-8-24(26)21-37-34(29)35(30)38-33/h1-21H
InChIKeyHPYQYPDRXQIRMG-UHFFFAOYSA-N
XLogP8.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 58.97
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

3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine
CID 86679313
2,6-di(phenanthren-9-yl)-4-pyridin-4-ylbenzo[h]quinoline;2,6-di(phenanthren-9-yl)-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 157088879
2-phenanthren-9-yl-9-pyridin-4-yl-1,10-phenanthroline
CID 145129513
2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline
CID 70909562
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143
2,6-di(phenanthren-9-yl)-4-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 89137285
4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88868967
4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine
CID 157064869
3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622556
3-[3-phenanthren-9-yl-5-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622478
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89137298

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline?
The IUPAC name of 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline (CID 58637294) is 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline.
What is the SMILES notation for 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline?
The canonical SMILES for 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline is c1ccc2c(c1)cc(-c1cc(-c3ccncc3)c3ccc4c5ccccc5cnc4c3n1)c1ccccc12.
What is the InChIKey of 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline?
The InChIKey is HPYQYPDRXQIRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c1-3-9-25-23(7-1)19-32(28-12-6-5-11-27(25)28)33-20-31(22-15-17-36-18-16-22)30-14-13-29-26-10-4-2-8-24(26)21-37-34(29)35(30)38-33/h1-21H.
What are the key properties of 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline?
3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline has a molecular weight of 483.57 g/mol, XLogP of 8.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline is sourced from PubChem (CID 58637294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).