2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline

C47H29N3 — CID 134167600

IUPAC2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)nc5c4n3)cc2)nc1
InChIInChI=1S/C47H29N3/c1-2-12-39-37(10-1)38-11-3-4-13-40(38)42-29-35(21-24-41(39)42)34-8-7-9-36(28-34)45-26-23-33-20-19-32-22-25-44(49-46(32)47(33)50-45)31-17-15-30(16-18-31)43-14-5-6-27-48-43/h1-29H
InChIKeySQHCYPALYUQYRM-UHFFFAOYSA-N
MW635.77 g/mol
LogP12.31
Rot. Bonds4

About 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline

2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline (PubChem CID 134167600) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
PubChem CID134167600
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)nc5c4n3)cc2)nc1
InChIInChI=1S/C47H29N3/c1-2-12-39-37(10-1)38-11-3-4-13-40(38)42-29-35(21-24-41(39)42)34-8-7-9-36(28-34)45-26-23-33-20-19-32-22-25-44(49-46(32)47(33)50-45)31-17-15-30(16-18-31)43-14-5-6-27-48-43/h1-29H
InChIKeySQHCYPALYUQYRM-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 512.31
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-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
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
2-(3-pyrimidin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167637
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
2-[4-[7-(2-triphenylen-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780738
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
32,56,61-triazapentadecacyclo[53.2.2.27,57.28,11.212,15.221,24.225,28.239,42.243,46.247,50.251,54.116,20.129,33.134,38.04,60]octaconta-1(57),2,4(60),5,7(61),8(80),9,11(79),12(78),13,15(77),16,18,20(76),21(75),22,24(74),25(73),26,28(72),29(71),30,32,34,36,38(70),39,41,43,45,47,49,51,53,55,58,62,64,66,68-tetracontaene
CID 140920223
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
7-[3,5-di(quinolin-4-yl)phenyl]-2-[2-(3-pyridin-2-ylphenyl)quinolin-7-yl]quinoline;2-phenyl-9-[3-[2-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165060350

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline (CID 134167600) is 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline is c1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)nc5c4n3)cc2)nc1.
What is the InChIKey of 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The InChIKey is SQHCYPALYUQYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-2-12-39-37(10-1)38-11-3-4-13-40(38)42-29-35(21-24-41(39)42)34-8-7-9-36(28-34)45-26-23-33-20-19-32-22-25-44(49-46(32)47(33)50-45)31-17-15-30(16-18-31)43-14-5-6-27-48-43/h1-29H.
What are the key properties of 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline?
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline has a molecular weight of 635.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 134167600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).