1,2-di(cyclohexa-2,4-dien-1-yl)acridine

C25H21N — CID 140910862

IUPAC1,2-di(cyclohexa-2,4-dien-1-yl)acridine
SMILESC1=CCC(c2ccc3nc4ccccc4cc3c2C2C=CC=CC2)C=C1
InChIInChI=1S/C25H21N/c1-3-9-18(10-4-1)21-15-16-24-22(25(21)19-11-5-2-6-12-19)17-20-13-7-8-14-23(20)26-24/h1-9,11,13-19H,10,12H2
InChIKeyMVCINTBGLUMASM-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.59
Rot. Bonds2

About 1,2-di(cyclohexa-2,4-dien-1-yl)acridine

1,2-di(cyclohexa-2,4-dien-1-yl)acridine (PubChem CID 140910862) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 1,2-di(cyclohexa-2,4-dien-1-yl)acridine.

Molecular Properties

Compound Name1,2-di(cyclohexa-2,4-dien-1-yl)acridine
PubChem CID140910862
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name1,2-di(cyclohexa-2,4-dien-1-yl)acridine
SMILESC1=CCC(c2ccc3nc4ccccc4cc3c2C2C=CC=CC2)C=C1
InChIInChI=1S/C25H21N/c1-3-9-18(10-4-1)21-15-16-24-22(25(21)19-11-5-2-6-12-19)17-20-13-7-8-14-23(20)26-24/h1-9,11,13-19H,10,12H2
InChIKeyMVCINTBGLUMASM-UHFFFAOYSA-N
XLogP6.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.59
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 1,2-di(cyclohexa-2,4-dien-1-yl)acridine?
The IUPAC name of 1,2-di(cyclohexa-2,4-dien-1-yl)acridine (CID 140910862) is 1,2-di(cyclohexa-2,4-dien-1-yl)acridine.
What is the SMILES notation for 1,2-di(cyclohexa-2,4-dien-1-yl)acridine?
The canonical SMILES for 1,2-di(cyclohexa-2,4-dien-1-yl)acridine is C1=CCC(c2ccc3nc4ccccc4cc3c2C2C=CC=CC2)C=C1.
What is the InChIKey of 1,2-di(cyclohexa-2,4-dien-1-yl)acridine?
The InChIKey is MVCINTBGLUMASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-3-9-18(10-4-1)21-15-16-24-22(25(21)19-11-5-2-6-12-19)17-20-13-7-8-14-23(20)26-24/h1-9,11,13-19H,10,12H2.
What are the key properties of 1,2-di(cyclohexa-2,4-dien-1-yl)acridine?
1,2-di(cyclohexa-2,4-dien-1-yl)acridine has a molecular weight of 335.45 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclohexa-2,4-dien-1-yl)acridine is sourced from PubChem (CID 140910862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).