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

C41H25N3 — CID 134167567

IUPAC2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc4c3n2)nc1
InChIInChI=1S/C41H25N3/c1-2-12-33-31(10-1)32-11-3-4-13-34(32)36-25-29(17-20-35(33)36)28-8-7-9-30(24-28)37-21-18-26-15-16-27-19-22-39(38-14-5-6-23-42-38)44-41(27)40(26)43-37/h1-25H
InChIKeyIKLUXUNAQWUYQZ-UHFFFAOYSA-N
MW559.67 g/mol
LogP10.64
Rot. Bonds3

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

2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline (PubChem CID 134167567) has the molecular formula C41H25N3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
PubChem CID134167567
Molecular FormulaC41H25N3
Molecular Weight559.67 g/mol
Exact Mass559.20
IUPAC Name2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc4c3n2)nc1
InChIInChI=1S/C41H25N3/c1-2-12-33-31(10-1)32-11-3-4-13-34(32)36-25-29(17-20-35(33)36)28-8-7-9-30(24-28)37-21-18-26-15-16-27-19-22-39(38-14-5-6-23-42-38)44-41(27)40(26)43-37/h1-25H
InChIKeyIKLUXUNAQWUYQZ-UHFFFAOYSA-N
XLogP10.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 510.64
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-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
2-(3-pyrimidin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167637
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
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 134167551
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 59307376
2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 129208722
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 176785327

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline (CID 134167567) is 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc4c3n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The InChIKey is IKLUXUNAQWUYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3/c1-2-12-33-31(10-1)32-11-3-4-13-34(32)36-25-29(17-20-35(33)36)28-8-7-9-30(24-28)37-21-18-26-15-16-27-19-22-39(38-14-5-6-23-42-38)44-41(27)40(26)43-37/h1-25H.
What are the key properties of 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline has a molecular weight of 559.67 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 134167567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).