2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline

C47H29N5 — CID 174135071

IUPAC2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6cc7cc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)ccc7cc6c5)nc4c3n2)cc1
InChIInChI=1S/C47H29N5/c1-2-8-30(9-3-1)40-20-18-31-12-13-32-19-21-41(52-47(32)46(31)51-40)36-17-16-34-24-37-26-35(15-14-33(37)25-38(34)27-36)39-28-44(42-10-4-6-22-48-42)50-45(29-39)43-11-5-7-23-49-43/h1-29H
InChIKeyCTXNVUFYLNCMDY-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.61
Rot. Bonds5

About 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline

2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline (PubChem CID 174135071) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline
PubChem CID174135071
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6cc7cc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)ccc7cc6c5)nc4c3n2)cc1
InChIInChI=1S/C47H29N5/c1-2-8-30(9-3-1)40-20-18-31-12-13-32-19-21-41(52-47(32)46(31)51-40)36-17-16-34-24-37-26-35(15-14-33(37)25-38(34)27-36)39-28-44(42-10-4-6-22-48-42)50-45(29-39)43-11-5-7-23-49-43/h1-29H
InChIKeyCTXNVUFYLNCMDY-UHFFFAOYSA-N
XLogP11.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline with MolForge

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Related Compounds

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 174201455
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
22-(3-pyridin-2-ylphenyl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
CID 140920150
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
2-[6-(1,10-phenanthrolin-2-yl)-4-(4-pyridin-2-ylphenyl)-2-pyridinyl]-1,10-phenanthroline
CID 146474068
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159906159
2-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-6-(2-phenylquinolin-6-yl)quinoline;2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 159059555
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline (CID 174135071) is 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6cc7cc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)ccc7cc6c5)nc4c3n2)cc1.
What is the InChIKey of 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline?
The InChIKey is CTXNVUFYLNCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-2-8-30(9-3-1)40-20-18-31-12-13-32-19-21-41(52-47(32)46(31)51-40)36-17-16-34-24-37-26-35(15-14-33(37)25-38(34)27-36)39-28-44(42-10-4-6-22-48-42)50-45(29-39)43-11-5-7-23-49-43/h1-29H.
What are the key properties of 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline?
2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline has a molecular weight of 663.78 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 174135071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).