2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline

C44H28N4 — CID 139363998

IUPAC2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
SMILESc1ccc(-c2cc(-c3ccccn3)cc(-c3ccc4cc(-c5cccc(-c6ccc7cc8ccccc8cc7n6)c5)ccc4n3)c2)nc1
InChIInChI=1S/C44H28N4/c1-2-9-31-28-44-35(23-29(31)8-1)16-18-41(48-44)33-11-7-10-30(22-33)32-14-17-42-34(24-32)15-19-43(47-42)38-26-36(39-12-3-5-20-45-39)25-37(27-38)40-13-4-6-21-46-40/h1-28H
InChIKeyKYGOCFMXQJCJIB-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline

2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline (PubChem CID 139363998) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline.

Molecular Properties

Compound Name2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
PubChem CID139363998
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
SMILESc1ccc(-c2cc(-c3ccccn3)cc(-c3ccc4cc(-c5cccc(-c6ccc7cc8ccccc8cc7n6)c5)ccc4n3)c2)nc1
InChIInChI=1S/C44H28N4/c1-2-9-31-28-44-35(23-29(31)8-1)16-18-41(48-44)33-11-7-10-30(22-33)32-14-17-42-34(24-32)15-19-43(47-42)38-26-36(39-12-3-5-20-45-39)25-37(27-38)40-13-4-6-21-46-40/h1-28H
InChIKeyKYGOCFMXQJCJIB-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
3-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline;2-[3-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-5-quinolin-2-ylphenyl]quinoline;3-[3-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 163983947
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-[3,5-di(quinolin-3-yl)phenyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-[2-(3-quinolin-3-ylphenyl)quinolin-7-yl]quinoline;2-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165071745
2-(3-benzo[g]quinolin-2-yl-5-quinolin-8-ylphenyl)benzo[g]quinoline
CID 139364035
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-phenylbenzo[g]quinoline
CID 45113076
2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023263
2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline
CID 139363999
2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]quinoline
CID 139363955

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline?
The IUPAC name of 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline (CID 139363998) is 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline.
What is the SMILES notation for 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline?
The canonical SMILES for 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline is c1ccc(-c2cc(-c3ccccn3)cc(-c3ccc4cc(-c5cccc(-c6ccc7cc8ccccc8cc7n6)c5)ccc4n3)c2)nc1.
What is the InChIKey of 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline?
The InChIKey is KYGOCFMXQJCJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-2-9-31-28-44-35(23-29(31)8-1)16-18-41(48-44)33-11-7-10-30(22-33)32-14-17-42-34(24-32)15-19-43(47-42)38-26-36(39-12-3-5-20-45-39)25-37(27-38)40-13-4-6-21-46-40/h1-28H.
What are the key properties of 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline?
2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline is sourced from PubChem (CID 139363998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).