2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline

C35H21N5 — CID 139364007

IUPAC2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline
SMILESc1cnc(-c2cc(-c3ccc4cc5ccccc5cc4n3)nc(-c3ccc4cc5ccccc5cc4n3)c2)nc1
InChIInChI=1S/C35H21N5/c1-3-8-24-18-31-26(16-22(24)6-1)10-12-29(38-31)33-20-28(35-36-14-5-15-37-35)21-34(40-33)30-13-11-27-17-23-7-2-4-9-25(23)19-32(27)39-30/h1-21H
InChIKeyCGRDKJDUQLIZRJ-UHFFFAOYSA-N
MW511.59 g/mol
LogP8.28
Rot. Bonds3

About 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline

2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline (PubChem CID 139364007) has the molecular formula C35H21N5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline.

Molecular Properties

Compound Name2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline
PubChem CID139364007
Molecular FormulaC35H21N5
Molecular Weight511.59 g/mol
Exact Mass511.18
IUPAC Name2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline
SMILESc1cnc(-c2cc(-c3ccc4cc5ccccc5cc4n3)nc(-c3ccc4cc5ccccc5cc4n3)c2)nc1
InChIInChI=1S/C35H21N5/c1-3-8-24-18-31-26(16-22(24)6-1)10-12-29(38-31)33-20-28(35-36-14-5-15-37-35)21-34(40-33)30-13-11-27-17-23-7-2-4-9-25(23)19-32(27)39-30/h1-21H
InChIKeyCGRDKJDUQLIZRJ-UHFFFAOYSA-N
XLogP8.28
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline?
The IUPAC name of 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline (CID 139364007) is 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline.
What is the SMILES notation for 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline?
The canonical SMILES for 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline is c1cnc(-c2cc(-c3ccc4cc5ccccc5cc4n3)nc(-c3ccc4cc5ccccc5cc4n3)c2)nc1.
What is the InChIKey of 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline?
The InChIKey is CGRDKJDUQLIZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5/c1-3-8-24-18-31-26(16-22(24)6-1)10-12-29(38-31)33-20-28(35-36-14-5-15-37-35)21-34(40-33)30-13-11-27-17-23-7-2-4-9-25(23)19-32(27)39-30/h1-21H.
What are the key properties of 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline?
2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline has a molecular weight of 511.59 g/mol, XLogP of 8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzo[g]quinolin-2-yl-4-pyrimidin-2-yl-2-pyridinyl)benzo[g]quinoline is sourced from PubChem (CID 139364007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).