7-(10-quinolin-7-ylanthracen-9-yl)quinoline

C32H20N2 — CID 167164576

IUPAC7-(10-quinolin-7-ylanthracen-9-yl)quinoline
SMILESc1cnc2cc(-c3c4ccccc4c(-c4ccc5cccnc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C32H20N2/c1-2-10-26-25(9-1)31(23-15-13-21-7-5-17-33-29(21)19-23)27-11-3-4-12-28(27)32(26)24-16-14-22-8-6-18-34-30(22)20-24/h1-20H
InChIKeyFAFNYXBFVWVDBK-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.42
Rot. Bonds2

About 7-(10-quinolin-7-ylanthracen-9-yl)quinoline

7-(10-quinolin-7-ylanthracen-9-yl)quinoline (PubChem CID 167164576) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 7-(10-quinolin-7-ylanthracen-9-yl)quinoline.

Molecular Properties

Compound Name7-(10-quinolin-7-ylanthracen-9-yl)quinoline
PubChem CID167164576
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name7-(10-quinolin-7-ylanthracen-9-yl)quinoline
SMILESc1cnc2cc(-c3c4ccccc4c(-c4ccc5cccnc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C32H20N2/c1-2-10-26-25(9-1)31(23-15-13-21-7-5-17-33-29(21)19-23)27-11-3-4-12-28(27)32(26)24-16-14-22-8-6-18-34-30(22)20-24/h1-20H
InChIKeyFAFNYXBFVWVDBK-UHFFFAOYSA-N
XLogP8.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-(10-quinolin-7-ylanthracen-9-yl)quinoline?
The IUPAC name of 7-(10-quinolin-7-ylanthracen-9-yl)quinoline (CID 167164576) is 7-(10-quinolin-7-ylanthracen-9-yl)quinoline.
What is the SMILES notation for 7-(10-quinolin-7-ylanthracen-9-yl)quinoline?
The canonical SMILES for 7-(10-quinolin-7-ylanthracen-9-yl)quinoline is c1cnc2cc(-c3c4ccccc4c(-c4ccc5cccnc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 7-(10-quinolin-7-ylanthracen-9-yl)quinoline?
The InChIKey is FAFNYXBFVWVDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-2-10-26-25(9-1)31(23-15-13-21-7-5-17-33-29(21)19-23)27-11-3-4-12-28(27)32(26)24-16-14-22-8-6-18-34-30(22)20-24/h1-20H.
What are the key properties of 7-(10-quinolin-7-ylanthracen-9-yl)quinoline?
7-(10-quinolin-7-ylanthracen-9-yl)quinoline has a molecular weight of 432.53 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-quinolin-7-ylanthracen-9-yl)quinoline is sourced from PubChem (CID 167164576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).