4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline

C33H23N — CID 88547922

IUPAC4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline
SMILESC1=C(c2c3ccccc3c(-c3ccnc4ccccc34)c3ccccc23)c2ccccc2CC1
InChIInChI=1S/C33H23N/c1-2-12-23-22(10-1)11-9-18-25(23)32-26-14-3-5-16-28(26)33(29-17-6-4-15-27(29)32)30-20-21-34-31-19-8-7-13-24(30)31/h1-8,10,12-21H,9,11H2
InChIKeyHNIWLCZSWOCLRM-UHFFFAOYSA-N
MW433.55 g/mol
LogP8.59
Rot. Bonds2

About 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline

4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline (PubChem CID 88547922) has the molecular formula C33H23N and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline.

Molecular Properties

Compound Name4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline
PubChem CID88547922
Molecular FormulaC33H23N
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline
SMILESC1=C(c2c3ccccc3c(-c3ccnc4ccccc34)c3ccccc23)c2ccccc2CC1
InChIInChI=1S/C33H23N/c1-2-12-23-22(10-1)11-9-18-25(23)32-26-14-3-5-16-28(26)33(29-17-6-4-15-27(29)32)30-20-21-34-31-19-8-7-13-24(30)31/h1-8,10,12-21H,9,11H2
InChIKeyHNIWLCZSWOCLRM-UHFFFAOYSA-N
XLogP8.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline?
The IUPAC name of 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline (CID 88547922) is 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline.
What is the SMILES notation for 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline?
The canonical SMILES for 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline is C1=C(c2c3ccccc3c(-c3ccnc4ccccc34)c3ccccc23)c2ccccc2CC1.
What is the InChIKey of 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline?
The InChIKey is HNIWLCZSWOCLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N/c1-2-12-23-22(10-1)11-9-18-25(23)32-26-14-3-5-16-28(26)33(29-17-6-4-15-27(29)32)30-20-21-34-31-19-8-7-13-24(30)31/h1-8,10,12-21H,9,11H2.
What are the key properties of 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline?
4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline has a molecular weight of 433.55 g/mol, XLogP of 8.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline is sourced from PubChem (CID 88547922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).