2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline

C43H27N5 — CID 134167671

IUPAC2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1cncc(-c2cnc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)nc6c5n4)cc3)cn2)c1
InChIInChI=1S/C43H27N5/c1-2-5-35-24-36(18-9-28(35)4-1)29-7-10-30(11-8-29)38-21-19-33-16-17-34-20-22-39(48-43(34)42(33)47-38)31-12-14-32(15-13-31)40-26-46-41(27-45-40)37-6-3-23-44-25-37/h1-27H
InChIKeyHYTSEEHMDMIPEM-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.46
Rot. Bonds5

About 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline

2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 134167671) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
PubChem CID134167671
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1cncc(-c2cnc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)nc6c5n4)cc3)cn2)c1
InChIInChI=1S/C43H27N5/c1-2-5-35-24-36(18-9-28(35)4-1)29-7-10-30(11-8-29)38-21-19-33-16-17-34-20-22-39(48-43(34)42(33)47-38)31-12-14-32(15-13-31)40-26-46-41(27-45-40)37-6-3-23-44-25-37/h1-27H
InChIKeyHYTSEEHMDMIPEM-UHFFFAOYSA-N
XLogP10.46
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-pyridin-4-yl-1,10-phenanthroline
CID 134167550
2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline
CID 164962831
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
[4-[7-(6-pyridin-3-yl-3-pyridinyl)naphthalen-2-yl]phenyl]phosphane
CID 170290663
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
2,6-dinaphthalen-2-yl-4-(4-pyridin-3-ylphenyl)pyridine
CID 122427561
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline (CID 134167671) is 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline is c1cncc(-c2cnc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)nc6c5n4)cc3)cn2)c1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is HYTSEEHMDMIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-2-5-35-24-36(18-9-28(35)4-1)29-7-10-30(11-8-29)38-21-19-33-16-17-34-20-22-39(48-43(34)42(33)47-38)31-12-14-32(15-13-31)40-26-46-41(27-45-40)37-6-3-23-44-25-37/h1-27H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 613.72 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 134167671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).