7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline

C37H21Cl2N3 — CID 154599073

IUPAC7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline
SMILESClc1ccnc2cc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4ccc5c(Cl)ccnc5c4)n3)ccc12
InChIInChI=1S/C37H21Cl2N3/c38-31-13-15-40-35-18-24(9-11-29(31)35)33-20-26(21-34(42-33)25-10-12-30-32(39)14-16-41-36(30)19-25)37-27-7-3-1-5-22(27)17-23-6-2-4-8-28(23)37/h1-21H
InChIKeyUXANMYDOAKSQRO-UHFFFAOYSA-N
MW578.50 g/mol
LogP10.79
Rot. Bonds3

About 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline

7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline (PubChem CID 154599073) has the molecular formula C37H21Cl2N3 and a molecular weight of 578.50 g/mol. Its IUPAC name is 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline.

Molecular Properties

Compound Name7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline
PubChem CID154599073
Molecular FormulaC37H21Cl2N3
Molecular Weight578.50 g/mol
Exact Mass577.11
IUPAC Name7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline
SMILESClc1ccnc2cc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4ccc5c(Cl)ccnc5c4)n3)ccc12
InChIInChI=1S/C37H21Cl2N3/c38-31-13-15-40-35-18-24(9-11-29(31)35)33-20-26(21-34(42-33)25-10-12-30-32(39)14-16-41-36(30)19-25)37-27-7-3-1-5-22(27)17-23-6-2-4-8-28(23)37/h1-21H
InChIKeyUXANMYDOAKSQRO-UHFFFAOYSA-N
XLogP10.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.50
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-chloroquinoline;ethane
CID 91461667
4,7-dichloroquinoline
CID 6866
4-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]quinoline
CID 122427626
7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
CID 155792666
2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088203
10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine
CID 166056922
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
3-anthracen-9-ylquinoline
CID 170654314
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
CID 70836414

Frequently Asked Questions

What is the IUPAC name of 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline?
The IUPAC name of 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline (CID 154599073) is 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline.
What is the SMILES notation for 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline?
The canonical SMILES for 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline is Clc1ccnc2cc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4ccc5c(Cl)ccnc5c4)n3)ccc12.
What is the InChIKey of 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline?
The InChIKey is UXANMYDOAKSQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21Cl2N3/c38-31-13-15-40-35-18-24(9-11-29(31)35)33-20-26(21-34(42-33)25-10-12-30-32(39)14-16-41-36(30)19-25)37-27-7-3-1-5-22(27)17-23-6-2-4-8-28(23)37/h1-21H.
What are the key properties of 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline?
7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline has a molecular weight of 578.50 g/mol, XLogP of 10.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-anthracen-9-yl-6-(4-chloroquinolin-7-yl)-2-pyridinyl]-4-chloroquinoline is sourced from PubChem (CID 154599073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).