2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline

C33H21N3 — CID 171732044

IUPAC2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccccn6)c6ccccc56)nc4c3n2)cc1
InChIInChI=1S/C33H21N3/c1-2-8-22(9-3-1)29-19-15-23-13-14-24-16-20-31(36-33(24)32(23)35-29)28-18-17-27(30-12-6-7-21-34-30)25-10-4-5-11-26(25)28/h1-21H
InChIKeyNCVMUGHVNMSRME-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.33
Rot. Bonds3

About 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline

2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline (PubChem CID 171732044) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
PubChem CID171732044
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccccn6)c6ccccc56)nc4c3n2)cc1
InChIInChI=1S/C33H21N3/c1-2-8-22(9-3-1)29-19-15-23-13-14-24-16-20-31(36-33(24)32(23)35-29)28-18-17-27(30-12-6-7-21-34-30)25-10-4-5-11-26(25)28/h1-21H
InChIKeyNCVMUGHVNMSRME-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-phenyl-9-[4-(3-pyrimidin-2-ylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725284
2-phenyl-9-[4-(6-pyrimidin-2-ylnaphthalen-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 134596809
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
CID 134167800
2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 162506961
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-phenyl-9-[4-[2-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-7-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164779311
2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221322
2-phenyl-9-(4-pyren-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 134596590
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600
2-phenyl-9-(6-pyren-1-yl-2-pyridinyl)-1,10-phenanthroline
CID 121277741
2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline
CID 142453495

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline (CID 171732044) is 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccccn6)c6ccccc56)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline?
The InChIKey is NCVMUGHVNMSRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-8-22(9-3-1)29-19-15-23-13-14-24-16-20-31(36-33(24)32(23)35-29)28-18-17-27(30-12-6-7-21-34-30)25-10-4-5-11-26(25)28/h1-21H.
What are the key properties of 2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline?
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-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-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline is sourced from PubChem (CID 171732044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).